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Author |
Dong, H.M.; Tao, Z.H.; Li, L.L.; Huang, F.; Xu, W.; Peeters, F.M. |
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Title  |
Substrate dependent terahertz response of monolayer WS₂ |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
116 |
Issue |
20 |
Pages |
1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate experimentally the terahertz (THz) optoelectronic properties of monolayer (ML) tungsten disulfide (WS2) placed on different substrates using THz time-domain spectroscopy (TDS). We find that the THz optical response of n-type ML WS2 depends sensitively on the choice of the substrate. This dependence is found to be a consequence of substrate induced charge transfer, extra scattering centers, and electronic localization. Through fitting the experimental results with the Drude-Smith formula, we can determine the key sample parameters (e.g., the electronic relaxation time, electron density, and electronic localization factor) of ML WS2 on different substrates. The temperature dependence of these parameters is examined. Our results show that the THz TDS technique is an efficient non-contact method that can be utilized to characterize and investigate the optoelectronic properties of nano-devices based on ML WS2. |
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Wos |
000536282300001 |
Publication Date |
2020-05-20 |
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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 |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by the Fundamental Research Funds for the Central Universities (Grant No. 2018GF09) and by the National Natural Science foundation of China (Nos. U1930116 and 11574319). ; |
Approved |
Most recent IF: 4; 2020 IF: 3.411 |
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Call Number |
UA @ admin @ c:irua:170255 |
Serial |
6620 |
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| Permanent link to this record |
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Author |
Dong, H.M.; Tao, Z.H.; Duan, Y.F.; Li, L.L.; Huang, F.; Peeters, F.M. |
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Title |
Substrate dependent terahertz magneto-optical properties of monolayer WS2 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Optics Letters |
Abbreviated Journal |
Opt Lett |
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| |
Volume |
46 |
Issue |
19 |
Pages |
4892-4895 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Terahertz (THz) magneto-optical (MO) properties of monolayer (ML) tungsten disulfide (WS2), placed on different substrates and subjected to external magnetic fields, are studied using THz time-domain spectroscopy (TDS). We find that the THz MO conductivity exhibits a nearly linear response in a weak magnetic field, while a distinctly nonlinear/oscillating behavior is found in strong magnetic fields owing to strong substrate-induced random impurity scattering and interactions. The THz MO response of ML WS2 depends sensitively on the choice of the substrates, which we trace back to electronic localization and the impact of the substrates on the Landau level (LL) spectrum. Our results provide an in-depth understanding of the THz MO properties of ML WS2/substrate systems, especially the effect of substrates, which can be utilized to realize atomically thin THz MO nano-devices. (C) 2021 Optical Society of America |
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Wos |
000702746400048 |
Publication Date |
2021-09-01 |
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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 |
0146-9592 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.416 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.416 |
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Call Number |
UA @ admin @ c:irua:182526 |
Serial |
7023 |
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Author |
Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P. |
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Title |
Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
208 |
Issue |
6 |
Pages |
1252-1258 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure. |
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Wos |
000292945800008 |
Publication Date |
2011-02-24 |
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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 |
1862-6300; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
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Notes |
; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ; |
Approved |
Most recent IF: 1.775; 2011 IF: 1.463 |
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Call Number |
UA @ lucian @ c:irua:91941 |
Serial |
3343 |
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Author |
de Backer, J.W.; Vos, W.G.; Burnell, P.; Verhulst, S.L.; Salmon, P.; de Clerck, N.; de Backer, W. |
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Title |
Study of the variability in upper and lower airway morphology in Sprague-Dawley rats using modern micro-CT scan-based segmentation techniques |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
The anatomical record: advances in integrative anatomy and evolutionary biology |
Abbreviated Journal |
Anat Rec |
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Volume |
292 |
Issue |
5 |
Pages |
720-727 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Animal models are being used extensively in pre-clinical and safety assessment studies to assess the effectiveness and safety of new chemical entities and delivery systems. Although never entirely replacing the need for animal testing, the use of computer simulations could eventually reduce the amount of animals needed for research purposes and refine the data acquired from the animal studies. Computational fluid dynamics is a powerful tool that makes it possible to simulate flow and particle behavior in animal or patient-specific respiratory models, for purposes of inhaled delivery. This tool requires an accurate representation of the respiratory system, respiration and dose delivery attributes. The aim of this study is to develop a representative airway model of the Sprague-Dawley rat using static and dynamic micro-CT scans. The entire respiratory tract was modeled, from the snout and nares down to the central airways at the point where no distinction could be made between intraluminal air and the surrounding tissue. For the selection of the representative model, variables such as upper airway movement, segmentation length, airway volume and size are taken into account. Dynamic scans of the nostril region were used to illustrate the characteristic morphology of this region in anaesthetized animals. It could be concluded from this study that it was possible to construct a highly detailed representative model of a Sprague-Dawley rat based on imaging modalities such as micro-CT scans |
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Place of Publication |
New York, N.Y. |
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Wos |
000265766000010 |
Publication Date |
2009-03-25 |
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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 |
1932-8486;1932-8494; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.431 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.431; 2009 IF: 1.490 |
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Call Number |
UA @ lucian @ c:irua:76455 |
Serial |
3342 |
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Author |
Dabral, A.; Pourtois, G.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Collaert, N.; Horiguchi, N.; Houssa, M. |
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Title |
Study of the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
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Volume |
7 |
Issue |
6 |
Pages |
N73-N80 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped n-type 2D and 3D semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first principles calculations with Non-Equilibrium Green functions transport simulations. The evolution of the intrinsic contact resistivity with the doping concentration is found to saturate at similar to 2 x 10(-10) Omega.cm(2) for the case of TiSi and imposes an intrinsic limit to the ultimate contact resistance achievable for n-doped Silamorphous-TiSi (aTiSi). The limit arises from the intrinsic properties of the semiconductors and of the metals such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting heavy electron effective mass metals with semiconductor helps reducing the interface intrinsic contact resistivity. This observation seems to hold true regardless of the 3D character of the semiconductor, as illustrated for the case of three 2D semiconducting materials, namely MoS2, ZrS2 and HfS2. (C) The Author(s) 2018. Published by ECS. |
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Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
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Language |
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Wos |
000440836000004 |
Publication Date |
2018-05-25 |
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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 |
2162-8769; 2162-8777 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.787 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
; The authors thank the imec core CMOS program members, the European Commission, its TAKEMI5 ECSEL research project and the local authorities for their support. ; |
Approved |
Most recent IF: 1.787 |
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Call Number |
UA @ lucian @ c:irua:153205UA @ admin @ c:irua:153205 |
Serial |
5130 |
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Author |
Domingos, J.L.C. |
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Title |
Study of colloidal systems of anisotropic magnetic particles |
Type |
Doctoral thesis |
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Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
114 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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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 |
UA @ admin @ c:irua:152284 |
Serial |
5232 |
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Author |
Ferreira, W.P.; Munarin, F.F.; Nelissen, K.; Costa, R.N.; Peeters, F.M.; Farias, G.A. |
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Title |
Structure, normal mode spectra, and mixing of a binary system of charged particles confined in a parabolic trap |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
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Volume |
72 |
Issue |
2 Part 1 |
Pages |
021406-21413 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the mixing of two different kinds of particles, having different charge and/or mass, interacting through a pure Coulomb potential, and confined in a parabolic trap. The structure of the cluster and its normal mode spectrum are analyzed as a function of the ratio of the charges (mass ratio) of the two types of particles. We show that particles are not always arranged in a shell structure. Mixing of the particles goes hand in hand with a large number of metastable states. The normal modes of the system are obtained, and we find that some of the special modes can be tuned by varying the ratio between the charges (masses) of the two species. The degree of mixing of the two type of particles is summarized in a phase diagram, and an order parameter that describes quantitatively the mixing between particles is defined. |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000231564000031 |
Publication Date |
2005-08-18 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
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Call Number |
UA @ lucian @ c:irua:103149 |
Serial |
3306 |
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Author |
Yang, W.; Nelissen, K.; Kong, M.; Zeng, Z.; Peeters, F.M. |
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Title |
Structure of binary colloidal systems confined in a quasi-one-dimensional channel |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
79 |
Issue |
4 |
Pages |
041406,1-041406,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The structural properties of a binary colloidal quasi-one-dimensional system confined in a narrow channel are investigated through modified Monte Carlo simulations. Two species of particles with different magnetic moment interact through a repulsive dipole-dipole force are confined in a quasi-one-dimensional channel. The impact of three decisive parameters (the density of particles, the magnetic-moment ratio, and the fraction between the two species) on the transition from disordered phase to crystal-like phases and the transitions among the different mixed phases are summarized in a phase diagram. |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000265941300077 |
Publication Date |
2009-04-23 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2009 IF: 2.400 |
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Call Number |
UA @ lucian @ c:irua:77021 |
Serial |
3308 |
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Author |
Willhammar, T.; Sentosun, K.; Mourdikoudis, S.; Goris, B.; Kurttepeli, M.; Bercx, M.; Lamoen, D.; Partoens, B.; Pastoriza-Santos, I.; Pérez-Juste, J.; Liz-Marzán, L.M.; Bals, S.; Van Tendeloo, G. |
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Title |
Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
8 |
Issue |
8 |
Pages |
14925 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Copper chalcogenides find applications in different domains including photonics, photothermal therapy and photovoltaics. CuTe nanocrystals have been proposed as an alternative to noble metal particles for plasmonics. Although it is known that deviations from stoichiometry are a prerequisite for plasmonic activity in the near-infrared, an accurate description of the material and its (optical) properties is hindered by an insufficient understanding of the atomic structure and the influence of defects, especially for materials in their nanocrystalline form. We demonstrate that the structure of Cu1.5±xTe nanocrystals canbe determined using electron diffraction tomography. Real-space high-resolution electron tomography directly reveals the three-dimensional distribution of vacancies in the structure. Through first-principles density functional theory, we furthermore demonstrate that the influence of these vacancies on the optical properties of the nanocrystals is determined. Since our methodology is applicable to a variety of crystalline nanostructured materials, it is expected to provide unique insights concerning structure–property correlations. |
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Place of Publication |
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Language |
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Wos |
000397799700001 |
Publication Date |
2017-03-30 |
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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 |
37 |
Open Access |
OpenAccess |
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Notes |
The work was financially supported by the European Research Council through an ERC Starting Grant (#335078-COLOURATOMS). T.W. acknowledges the Swedish Research Council for an international postdoc grant. We acknowledge financial support of FWO-Vlaanderen through project G.0216.14N, G.0369.15N and a postdoctoral research grant to B.G. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government–Department EWI. The work was further supported by the Spanish MINECO (MAT2013-45168-R). S.M. thanks the Action ooSupporting Postdoctoral Researchers44 of the Operational Program ‘Education and Lifelong Learning’ (Action’s Beneficiary: General Secretariat for Research and Technology of Greece), which was co-financed by the European Social Fund (ESF) and the Greek State. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); ECAS_Sara |
Approved |
Most recent IF: 12.124 |
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Call Number |
EMAT @ emat @ c:irua:142203UA @ admin @ c:irua:142203 |
Serial |
4538 |
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Author |
Kong, M.; Partoens, B.; Matulis, A.; Peeters, F.M. |
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Title |
Structure and spectrum of two-dimensional clusters confined in a hard wall potential |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
69 |
Issue |
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Pages |
036412,1-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000220729400077 |
Publication Date |
2004-04-01 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
42 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2004 IF: NA |
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Call Number |
UA @ lucian @ c:irua:62442 |
Serial |
3298 |
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Author |
Cândido, L.; Rino, J.-P.; Studart, N.; Peeters, F.M. |
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Title |
Structure and spectrum of the anisotropically confined two-dimensional Yukawa system |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
10 |
Issue |
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Pages |
11627-11644 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000077882400004 |
Publication Date |
2002-08-25 |
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ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
69 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.649; 1998 IF: 1.645 |
|
| |
Call Number |
UA @ lucian @ c:irua:24174 |
Serial |
3297 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Partoens, B.; Deo, P.S. |
|
| |
Title |
Structure and spectrum of classical two-dimensional clusters with a logarithmic interaction potential |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
69 |
Issue |
|
Pages |
245415,1-5 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000222531800087 |
Publication Date |
2004-06-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
|
| |
Call Number |
UA @ lucian @ c:irua:62433 |
Serial |
3296 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Structure and spectrum of anisotropically confined two-dimensional clusters with logarithmic interaction |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
72 |
Issue |
|
Pages |
046122,1-7 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We studied the structural and spectral properties of a classical system consisting of a finite number of particles, moving in two dimensions, and interacting through a repulsive logarithmic potential and held together by an anisotropic harmonic potential. Increasing the anisotropy of the confinement potential can drive the system from a two-dimensional (2D) to a one-dimensional (1D) configuration. This change occurs through a sequence of structural transitions of first and second order which are reflected in the normal mode frequencies. Our results of the ground state configurations are compared with recent experiments and we obtained a satisfactory agreement. The transition from the 1D line structure to the 2D structure occurs through a zigzag transition which is of second order. We found analytical expressions for the eigenfrequencies before the zigzag transition, which allowed us to obtain an analytical expression for the anisotropy parameter at which the zigzag transition occurs as a function of the number of particles in the system. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000232931200034 |
Publication Date |
2005-10-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
22 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
|
| |
Call Number |
UA @ lucian @ c:irua:62448 |
Serial |
3295 |
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| Permanent link to this record |
| |
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| |
|
Author |
de Araujo, J.L.B.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.; Ferreira, W.P. |
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| |
Title |
Structure and reentrant percolation in an inverse patchy colloidal system |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical Review E |
Abbreviated Journal |
|
|
| |
Volume |
95 |
Issue |
6 |
Pages |
062606 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Two-dimensional systems of inverse patchy colloids modeled as disks with a central charge and having their surface decorated with oppositely pointlike charged patches are investigated using molecular dynamics simulations. The self-assembly of the patchy colloids leads to diverse ground state configurations ranging from crystalline arrangements of monomers to linear clusters, ramified linear clusters and to percolated configurations. Two structural phase diagrams are constructed: (1) as a function of the net charge and area fraction, and (2) as a function of the net charge and the range of the pair interaction potential. An interesting reentrant percolation transition is obtained as a function of the net charge of the colloids. We identify distinct mechanisms that lead to the percolation transition. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000404545700005 |
Publication Date |
2017-06-27 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:152628 |
Serial |
8587 |
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| Permanent link to this record |
| |
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| |
|
Author |
Dzhurakhalov, A.A.; Peeters, F.M. |
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| |
Title |
Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
49 |
Issue |
10 |
Pages |
3258-3266 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) |
|
| |
Abstract |
Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Oxford |
Editor |
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| |
Language |
|
Wos |
000291959300014 |
Publication Date |
2011-04-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.337 |
Times cited |
46 |
Open Access |
|
|
| |
Notes |
; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
| |
Call Number |
UA @ lucian @ c:irua:90877 |
Serial |
3275 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Ferreira, W.P.; Matulis, A.; Farias, G.A.; Peeters, F.M. |
|
| |
Title |
Structure and correlations in two-dimensional classical artificial atoms confined by a Coulomb potential |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
67 |
Issue |
4Part 2 |
Pages |
046601-46608 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The ordering of N equally charged particles (-e) moving in two dimensions and confined by a Coulomb potential, resulting from a displaced positive charge Ze is discussed. This is a classical model system for atoms. We obtain the configurations of charged particles which, depending on the value of N and Z, may result in ring structures, hexagonal-type configurations, and for N/Z approximate to 1 in an inner structure of particles which is separated by an outer ring of particles. For N/Z << 1, the Hamiltonian of the parabolic confinement case is recovered. For N/Z approximate to 1, the configurations are very different from those found in the case of a parabolic confinement potential. A hydrodynamic analysis is presented in order to highlight the correlations effects. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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| |
Language |
|
Wos |
000182825400087 |
Publication Date |
2003-04-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1063-651X;1095-3787; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2003 IF: 2.202 |
|
| |
Call Number |
UA @ lucian @ c:irua:104123 |
Serial |
3273 |
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| Permanent link to this record |
| |
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| |
|
Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. |
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| |
Title |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
|
| |
Volume |
144 |
Issue |
144 |
Pages |
285-293 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000424902300036 |
Publication Date |
2017-12-29 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.292 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; |
Approved |
Most recent IF: 2.292 |
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| |
Call Number |
UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 |
Serial |
4949 |
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| Permanent link to this record |
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| |
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Author |
Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. |
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| |
Title |
Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Magnetism And Magnetic Materials |
Abbreviated Journal |
J Magn Magn Mater |
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| |
Volume |
493 |
Issue |
493 |
Pages |
165668 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000486397800003 |
Publication Date |
2019-08-03 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-8853 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.7 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.63 |
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| |
Call Number |
UA @ admin @ c:irua:162755 |
Serial |
6323 |
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| Permanent link to this record |
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| |
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Author |
Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M. |
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| |
Title |
Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
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| |
Volume |
96 |
Issue |
96 |
Pages |
1743-1756 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000376076500002 |
Publication Date |
2016-05-07 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
1478-6435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.505 |
Times cited |
29 |
Open Access |
|
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| |
Notes |
; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; |
Approved |
Most recent IF: 1.505 |
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| |
Call Number |
UA @ lucian @ c:irua:134161 |
Serial |
4254 |
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| Permanent link to this record |
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| |
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Author |
Kong, M.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Structural, dynamical and melting properties of two-dimensional clusters of complex plasmas |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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| |
Volume |
5 |
Issue |
|
Pages |
23,1-17 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Bristol |
Editor |
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| |
Language |
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Wos |
000181548000008 |
Publication Date |
2003-03-15 |
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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 |
|
Edition |
|
|
| |
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.786 |
Times cited |
67 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.786; 2003 IF: 2.480 |
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| |
Call Number |
UA @ lucian @ c:irua:62452 |
Serial |
3232 |
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| Permanent link to this record |
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| |
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Author |
Galván Moya, J.E.; Nelissen, K.; Peeters, F.M. |
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| |
Title |
Structural transitions in vertically and horizontally coupled parabolic channels of Wigner crystals |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
86 |
Issue |
18 |
Pages |
184102-184109 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Structural phase transitions in two vertically or horizontally coupled channels of strongly interacting particles are investigated. The particles are free to move in the x direction but are confined by a parabolic potential in the y direction. They interact with each other through a screened power-law potential (r(-n)e(-r/lambda)). In vertically coupled systems, the channels are stacked above each other in the direction perpendicular to the (x, y) plane, while in horizontally coupled systems both channels are aligned in the confinement direction. Using Monte Carlo (MC) simulations we obtain the ground-state configurations and the structural transitions as a function of the linear particle density and the separation between the channels. At zero temperature, the vertically coupled system exhibits a rich phase diagram with continuous and discontinuous transitions. On the other hand, the horizontally coupled system exhibits only a very limited number of phase transitions due to its symmetry. Further, we calculated the normal modes for the Wigner crystals in both cases. From MC simulations, we found that in the case of vertically coupled systems, the zigzag transition is only possible for low densities. A Ginzburg-Landau theory for the zigzag transition is presented, which predicts correctly the behavior of this transition from which we interpret the structural phase transition of the Wigner crystal through the reduction of the Brillouin zone. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000310683600002 |
Publication Date |
2012-11-05 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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| |
Call Number |
UA @ lucian @ c:irua:105150 |
Serial |
3271 |
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| Permanent link to this record |
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| |
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Author |
Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Structural transitions in monolayer MOS2 by lithium adsorption |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
119 |
Issue |
119 |
Pages |
10602-10609 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000354912200051 |
Publication Date |
2015-04-07 |
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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 |
96 |
Open Access |
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| |
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ; |
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
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| |
Call Number |
c:irua:126409 |
Serial |
3270 |
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| Permanent link to this record |
| |
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| |
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Author |
Farias, G.A.; Peeters, F.M. |
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| |
Title |
Structural transitions in a finite classical two-dimensional system |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
|
| |
Volume |
100 |
Issue |
|
Pages |
711-715 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
A1996VU47000008 |
Publication Date |
2002-07-26 |
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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 |
|
Edition |
|
|
| |
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.897 |
Times cited |
25 |
Open Access |
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| |
Notes |
|
Approved |
|
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| |
Call Number |
UA @ lucian @ c:irua:15788 |
Serial |
3269 |
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| Permanent link to this record |
| |
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| |
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Author |
Ferreira, W.P.; Farias, G.A.; Carmona, H.A.; Peeters, F.M. |
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| |
Title |
Structural transitions in a classical two-dimensional molecule system |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
|
| |
Volume |
122 |
Issue |
12 |
Pages |
665-669 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The ground state of a classical two-dimensional (2D) system with a finite number of charge particles, trapped by two positive impurity charges localized at a distance (z(0)) from the. 2D plane and separated from each other by a distance chi(p) are obtained. The impurities are allowed to carry more than one positive charge. This classical system can form a 2D-like classical molecule that exhibits structural transitions and spontaneous symmetry breaking as function of the separation between the positive charges before it transforms into two 2D-like classical atoms. We also observe structural transitions as a function of the dielectric constant of the substrate which supports the charged particles, in addition to broken symmetry states and unbinding of particles. (C) 2002 Elsevier Science Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000177129500008 |
Publication Date |
2002-10-11 |
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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 |
|
|
| |
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.554 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.554; 2002 IF: 1.671 |
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| |
Call Number |
UA @ lucian @ c:irua:95137 |
Serial |
3268 |
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| Permanent link to this record |
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| |
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Author |
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
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| |
Title |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
142 |
Issue |
142 |
Pages |
024902 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000348129700053 |
Publication Date |
2015-01-10 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
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| |
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; |
Approved |
Most recent IF: 2.965; 2015 IF: 2.952 |
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| |
Call Number |
c:irua:123832 |
Serial |
3267 |
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| Permanent link to this record |
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Author |
Galván Moya, J.E. |
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| |
Title |
Structural properties of classical quasi-one-dimensional crystals and three-dimensional clusters |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:117413 |
Serial |
3256 |
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| Permanent link to this record |
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Author |
Piacente, G.; Schweigert, I.V.; Betouras, J.J.; Peeters, F.M. |
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Title |
Structural properties and melting of a quasi-one dimensional classical Wigner crystal |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
|
| |
Volume |
128 |
Issue |
2-3 |
Pages |
57-61 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The structural and melting properties of a quasi-one dimensional system of charged particles, interacting through a screened Coulomb potential are investigated. Depending on the density and the screening length, the system crystallizes in different lattice structures. The structural phase transitions between them are of first or second order. The melting of the system is studied through Monte Carlo simulations and reentrant behavior as a function of density is observed as well as evidence of anisotropic melting. (C) 2003 Published by Elsevier Ltd. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000185533100004 |
Publication Date |
2003-08-12 |
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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 |
0038-1098; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.554 |
Times cited |
9 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.554; 2003 IF: 1.602 |
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| |
Call Number |
UA @ lucian @ c:irua:102790 |
Serial |
3253 |
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| Permanent link to this record |
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| |
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Author |
Ferreira, W.P.; Partoens, B.; Peeters, F.M.; Farias, G.A. |
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Title |
Structural phase transitions and unusual melting behavior in a classical two-dimensional Coulomb bound cluster |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
71 |
Issue |
|
Pages |
021501,1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000228245700023 |
Publication Date |
2005-02-09 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
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Call Number |
UA @ lucian @ c:irua:62445 |
Serial |
3251 |
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| Permanent link to this record |
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Author |
Galvan Moya, J.E.; Nelissen, K.; Peeters, F.M. |
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Title |
Structural ordering of self-assembled clusters with competing interactions : transition from faceted to spherical clusters |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
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| |
Volume |
31 |
Issue |
31 |
Pages |
917-924 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000348689700005 |
Publication Date |
2014-12-30 |
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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 |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.833 |
Times cited |
4 |
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.833; 2015 IF: 4.457 |
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| |
Call Number |
c:irua:125292 |
Serial |
3243 |
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| Permanent link to this record |
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Author |
Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. |
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Title |
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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| |
Volume |
27 |
Issue |
27 |
Pages |
335601 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000383780500012 |
Publication Date |
2016-07-05 |
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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 |
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Series Issue |
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Edition |
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| |
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.44 |
Times cited |
2 |
Open Access |
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| |
Notes |
; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.44 |
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| |
Call Number |
UA @ lucian @ c:irua:137155 |
Serial |
4363 |
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| Permanent link to this record |
