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Author Slachmuylders, A.F.; Partoens, B.; Peeters, F.M.; Magnus, W.
Title (up) Effect of a metallic gate on the energy levels of a shallow donor Type A1 Journal article
Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 92 Issue 8 Pages 083104,1-3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000254297300074 Publication Date 2008-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 14 Open Access
Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
Call Number UA @ lucian @ c:irua:69618 Serial 792
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Author Li, B.; Djotyan, A.P.; Hao, Y.L.; Avetisyan, A.A.; Peeters, F.M.
Title (up) Effect of a perpendicular magnetic field on the shallow donor states near a semiconductor-metal interface Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 7 Pages 075313-75319
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the influence of an external perpendicular magnetic field on the lowest-energy states of an electron bound to a donor which is located near a semiconductor-metal interface. The problem is treated within the effective mass approach and the lowest-energy states are obtained through (1) the “numerically exact” finite element method, and (2) a variational approach using a trial wave function where all image charges that emerge due to the presence of the metallic gate are taken into account. The trial wave functions are constructed such that they reduce to an exponential behavior for sufficiently small magnetic fields and become Gaussian for intermediate and large magnetic fields. The average electron-donor distance can be controlled by the external magnetic field. We find that the size of the 2p(z) state depends strongly on the magnetic field when the donor is close to the interface, showing a nonmonotonic behavior, in contrast with the ground and the other excited states. DOI: 10.1103/PhysRevB.87.075313
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000314874800017 Publication Date 2013-02-13
Series Editor Series Title Abbreviated Series Title
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 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:107664 Serial 793
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Author Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B.
Title (up) Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides Type A1 Journal article
Year 2023 Publication ACS applied electronic materials Abbreviated Journal
Volume 5 Issue 11 Pages 5852-5863
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001096792500001 Publication Date 2023-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2637-6113 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:201198 Serial 9026
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Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
Title (up) Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 15 Pages 155124
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343773200001 Publication Date 2014-10-20
Series Editor Series Title Abbreviated Series Title
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 30 Open Access
Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119527 Serial 800
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Author Mulkers, J.; Hals, K.M.D.; Leliaert, J.; Milošević, M.V.; Van Waeyenberge, B.; Everschor-Sitte, K.
Title (up) Effect of boundary-induced chirality on magnetic textures in thin films Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 98 Issue 6 Pages 064429
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In the quest for miniaturizing magnetic devices, the effects of boundaries and surfaces become increasingly important. Here we show how the recently predicted boundary-induced Dzyaloshinskii-Moriya interaction (DMI) affects the magnetization of ferromagnetic films with a C-infinity v symmetry and a perpendicular magnetic anisotropy. For an otherwise uniformly magnetized film, we find a surface twist when the magnetization in the bulk is canted by an in-plane external field. This twist at the surfaces caused by the boundary-induced DMI differs from the common canting caused by internal DMI observed at the edges of a chiral magnet. Furthermore, we find that the surface twist due to the boundary-induced DMI strongly affects the width of the domain wall at the surfaces. We also find that the skyrmion radius increases in the depth of the film, with the average size of the skyrmion increasing with boundary-induced DMI. This increase suggests that the boundary-induced DMI contributes to the stability of the skyrmion.
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000443394600004 Publication Date 2018-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes ; The authors thank Matthias Sitte and Andre Thiaville for fruitful discussions. This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and the German Research Foundation (DFG) under the Project No. EV 196/2-1. J.L. is supported by the Ghent University Special Research Fund with a BOF postdoctoral fellowship. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:153706UA @ admin @ c:irua:153706 Serial 5093
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Author Tkachenko, D.V.; Misko, V.R.; Peeters, F.M.
Title (up) Effect of correlated noise on quasi-one-dimensional diffusion Type A1 Journal article
Year 2010 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 82 Issue 5 Pages 051102-051102,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Single-file diffusion (SFD) of an infinite one-dimensional chain of interacting particles has a long-time mean-square displacement ∝t1/2, independent of the type of interparticle repulsive interaction. This behavior is also observed in finite-size chains, although only for certain intervals of time t depending on the chain length L, followed by the ∝t for t→∞, as we demonstrate for a closed circular chain of diffusing interacting particles. Here, we show that spatial correlation of noise slows down SFD and can result, depending on the amount of correlated noise, in either subdiffusive behavior ∝tα, where 0<α<1/2, or even in a total suppression of diffusion (in the limit N→∞). Spatial correlation can explain the subdiffusive behavior in recent SFD experiments in circular channels.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000283710100001 Publication Date 2010-11-02
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 11 Open Access
Notes ; We acknowledge discussions with M. Saint-Jean. This work was supported by the “Odysseus” program of the Flemish Government and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 2.366; 2010 IF: 2.352
Call Number UA @ lucian @ c:irua:85799 Serial 806
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Author Berdiyorov, G.R.; Madjet, M.E.; El-Mellouhi, F.; Peeters, F.M.
Title (up) Effect of crystal structure on the electronic transport properties of the organometallic perovskite CH3NH3PbI3 Type A1 Journal article
Year 2016 Publication Solar energy materials and solar cells T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO Abbreviated Journal Sol Energ Mat Sol C
Volume 148 Issue 148 Pages 60-66
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of the crystal lattice structure of organometallic perovskite CH3NH3PbI3 on its electronic transport properties. Both dispersive interactions and spin-orbit coupling are taken into account in describing structural and electronic properties of the system. We consider two different phases of the material, namely the orthorhombic and cubic lattice structures, which are energetically stable at low (< 160 K) and high (> 330 K) temperatures, respectively. The sizable geometrical differences between the two structures in term of lattice parameters, PbI6 octahedral tilts, rotation and deformations, have considerable impact on the transport properties of the material. For example, at zero bias and for all considered electron energies, the cubic phase has a larger transmission than the orthorhombic one, although both show similar electronic densities of states. Depending on the applied voltage, the current in the cubic system can be several orders of magnitude larger as compared to the one obtained for the orthorhombic sample. We attribute this enhancement in the transmission to the presence of extended states in the cubic phase due to the symmetrically shaped and ordered PbI6 octaherdra. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Elsevier science bv Place of Publication Amsterdam Editor
Language Wos 000371944500011 Publication Date 2015-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.784 Times cited 16 Open Access
Notes ; ; Approved Most recent IF: 4.784
Call Number UA @ lucian @ c:irua:133151 Serial 4163
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Author Roy, P.; Torun, E.; de Groot, R.A.
Title (up) Effect of doping and elastic properties in (Mn,Fe)2(Si,P) Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 094110
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372712100001 Publication Date 2016-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes ; This work is part of an Industrial Partnership Programme (IPP I28) of Fundamenteel Onderzoek der Materie (FOM) (The Netherlands) and co-financed by BASF New Business. The authors would like to thank Phuong Thao Nguyen and Dr. Gilles A. de Wijs for very useful discussions. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133192 Serial 4164
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title (up) Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 141 Issue Pages 115212-115216
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000806548600006 Publication Date 2022-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:189041 Serial 7147
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Author Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H.
Title (up) Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 129 Issue 15 Pages 155103
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, a two-dimensional (2D) MoSi 2N 4 (MSN) structure has been successfully synthesized [Hong et al., Science 369(6504), 670-674 (2020)]. Motivated by this result, we investigate the structural, electronic, and optical properties of MSN monolayer (MSN-1L) and bilayer (MSN-2L) under the applied electric field (E-field) and strain using density functional theory calculations. We find that the MSN-2L is a semiconductor with an indirect bandgap of 1.60 (1.80)eV using Perdew-Burke-Ernzerhof (HSE06). The bandgap of MSN-2L decreases as the E-field increases from 0.1 to 0.6V/angstrom and for larger E-field up to 1.0V/angstrom the bilayer becomes metallic. As the vertical strain increases, the bandgap decreases; more interestingly, a semiconductor to a metal phase transition is observed at a strain of 12 %. Furthermore, the optical response of the MSN-2L is in the ultraviolet (UV) region of the electromagnetic spectrum. The absorption edge exhibits a blue shift by applying an E-field or a vertical compressive strain. The obtained interesting properties suggest MSN-2L as a promising material in electro-mechanical and UV opto-mechanical devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000640620400003 Publication Date 2021-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:178233 Serial 6981
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Author Neek-Amal, M.; Peeters, F.M.
Title (up) Effect of grain boundary on the buckling of graphene nanoribbons Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 100 Issue 10 Pages 101905-101905,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000301655500021 Publication Date 2012-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:97794 Serial 809
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Author Berdiyorov, G.R.; El-Mellouhi, F.; Madjet, M.E.; Alharbi, F.H.; Peeters, F.M.; Kais, S.
Title (up) Effect of halide-mixing on the electronic transport properties of organometallic perovskites Type A1 Journal article
Year 2016 Publication Solar energy materials and solar cells T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO Abbreviated Journal Sol Energ Mat Sol C
Volume 148 Issue 148 Pages 2-10
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Elsevier science bv Place of Publication Amsterdam Editor
Language Wos 000371944500002 Publication Date 2015-12-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.784 Times cited 23 Open Access
Notes ; ; Approved Most recent IF: 4.784
Call Number UA @ lucian @ c:irua:133150 Serial 4165
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title (up) Effect of halogenation on the electronic transport properties of aromatic and alkanethiolate molecules Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 144 Issue Pages 115428-6
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Quantum transport calculations are conducted using nonequilibrium Green's functional formalism to study the effect of halogenation on the electronic transport properties of aromatic S-(C6H5)(2)X and alkanethiolate S-(CH2)(11)X molecules (with X = H, F, Cl, Br, or I) sandwiched between gold electrodes. In terms of conductance, both molecules show the same dependence on the halogen terminal groups despite their different electronic nature. For example, fluorination results in a reduction of the current by almost an order of magnitude, whereas iodine substitution leads to larger current as compared to the reference system (i.e. hydrogen termination). Regarding the asymmetry in the current-voltage characteristics, halogenation reduces the rectification level for the aromatic molecule with the smallest asymmetry for iodine termination. However, in the case of alkanethiolate molecule, halogen substitution increases the current rectification except for fluorination. A physical explanation of these results is obtained from the analysis of the behavior of the density of states, transmission spectra and transmission eigenstates. These findings are of practical importance in exploring the potential of halogenation for creating functional molecular self-assemblies on metallic substrates.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000857051700007 Publication Date 2022-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:191500 Serial 7148
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Author de Backer, J.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Parizel, P.M.; de Backer, W.
Title (up) Effect of high-dose N-acetylcysteine on airway geometry, inflammation, and oxidative stress in COPD patients Type A1 Journal article
Year 2013 Publication International Journal Of Chronic Obstructive Pulmonary Disease Abbreviated Journal Int J Chronic Obstr
Volume 8 Issue Pages 569-579
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Background: Previous studies have demonstrated the potential beneficial effect of N-acetylcysteine (NAC) in chronic obstructive pulmonary disease (COPD). However, the required dose and responder phenotype remain unclear. The current study investigated the effect of high-dose NAC on airway geometry, inflammation, and oxidative stress in COPD patients. Novel functional respiratory imaging methods combining multislice computed tomography images and computer-based flow simulations were used with high sensitivity for detecting changes induced by the therapy. Methods: Twelve patients with Global Initiative for Chronic Obstructive Lung Disease stage II COPD were randomized to receive NAC 1800 mg or placebo daily for 3 months and were then crossed over to the alternative treatment for a further 3 months. Results: Significant correlations were found between image-based resistance values and glutathione levels after treatment with NAC (P = 0.011) and glutathione peroxidase at baseline (P = 0.036). Image-based resistance values appeared to be a good predictor for glutathione peroxidase levels after NAC (P = 0.02), changes in glutathione peroxidase levels (P = 0.035), and reduction in lobar functional residual capacity levels (P = 0.00084). In the limited set of responders to NAC therapy, the changes in airway resistance were in the same order as changes induced by budesonide/formoterol. Conclusion: A combination of glutathione, glutathione peroxidase, and imaging parameters could potentially be used to phenotype COPD patients who would benefit from addition of NAC to their current therapy. The findings of this small pilot study need to be confirmed in a larger pivotal trial.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327537300001 Publication Date 2013-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1178-2005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.157 Times cited 21 Open Access
Notes ; JDB is a founder/shareholder of FluidDA NV, Kontich, Belgium. WV, SV, and CVH are employed by FluidDA NV, and WDB is the director of FluidDA NV. PMP and RC have no conflicts of interest to report. The study was supported by Zambon SpA, Bresso, Italy. ; Approved Most recent IF: 3.157; 2013 IF: NA
Call Number UA @ lucian @ c:irua:112799 Serial 813
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Author Yedukondalu, N.; Pandey, T.; Roshan, S.C.R.
Title (up) Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S Type A1 Journal article
Year 2023 Publication ACS applied energy materials Abbreviated Journal
Volume 6 Issue 4 Pages 2401-2411
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000929103700001 Publication Date 2023-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4; 2023 IF: NA
Call Number UA @ admin @ c:irua:195245 Serial 7300
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Author Tadić, M.; Peeters, F.M.; Janssens, K.L.
Title (up) Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 65 Issue 16 Pages 165333-13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000175325000097 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 72 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:103361 Serial 819
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Author Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R.
Title (up) Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions Type A1 Journal article
Year 2011 Publication Nuclear fusion Abbreviated Journal Nucl Fusion
Volume 51 Issue 10 Pages 103041,1-103041,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer.
Address
Corporate Author Thesis
Publisher Place of Publication Vienna Editor
Language Wos 000296603800043 Publication Date 2011-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0029-5515;1741-4326; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 3.307; 2011 IF: 4.090
Call Number UA @ lucian @ c:irua:93761 Serial 821
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
Title (up) Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems Type A1 Journal article
Year 2021 Publication Condensed Matter Abbreviated Journal
Volume 6 Issue 2 Pages 14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000665155800001 Publication Date 2021-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179635 Serial 6982
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Author Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, N.M.; Terentev, V.B.; Berdiyorov, G.R.
Title (up) Effect of neutron irradiation on the characteristics of laser-produced plasma Type A1 Journal article
Year 2010 Publication Nuclear fusion Abbreviated Journal Nucl Fusion
Volume 50 Issue 2 Pages 025024,1-025024,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the mass-spectrometric method we studied the formation of multi-charged plasma ions during the interaction of laser radiation with solid targets irradiated by neutron beams. We found that structural defects, caused by the neutron irradiation, influence not only the efficiency of the process of material evaporation and emission of plasma, but also the ionization and recombination processes taking place at the initial stage of plasma formation and expansion. We also show the effect of the dose of neutron irradiation on the threshold of plasma formation from the surface of the target.
Address
Corporate Author Thesis
Publisher Place of Publication Vienna Editor
Language Wos 000275322200029 Publication Date 2010-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0029-5515;1741-4326; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited 3 Open Access
Notes ; This work was supported by MINVIZ Uzbekistan and by IAEA (No 13738). G. R. B acknowledges support from FWO-Vlaanderen. ; Approved Most recent IF: 3.307; 2010 IF: 3.303
Call Number UA @ lucian @ c:irua:81769 Serial 825
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Author Badalyan, S.M.; Peeters, F.M.
Title (up) Effect of nonhomogenous dielectric background on the plasmon modes in graphene double-layer structures at finite temperatures Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 19 Pages 195444-195444,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have calculated the plasmon modes in graphene double layer structures at finite temperatures, taking into account the inhomogeneity of the dielectric background of the system. The effective dielectric function is obtained from the solution of the Poisson equation of a three-layer dielectric medium with graphene sheets located at the interfaces, separating the different materials. Due to the momentum dispersion of the effective dielectric function, the intra- and interlayer bare Coulomb interactions in the graphene double layer system acquires an additional momentum dependence-an effect that is of the order of the interlayer interaction itself. We show that the energies of the in-phase and out-of-phase plasmon modes are determined largely by different values of the spatially dependent effective dielectric function. The effect of the dielectric inhomogeneity increases with temperature, and even at high temperatures the energy shift induced by the dielectric inhomogeneity and temperature itself remains larger than the broadening of the plasmon energy dispersions due to the Landau damping. The obtained new features of the plasmon dispersions can be observed in frictional drag measurements and in inelastic light scattering and electron energy-loss spectroscopies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304394800011 Publication Date 2012-05-23
Series Editor Series Title Abbreviated Series Title
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 67 Open Access
Notes ; We thank G. Vignale for useful discussions and acknowledge support from the Flemisch Science Foundation (FWO-Fl) and the Belgian Science Policy (BELSPO). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98941 Serial 826
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Author Lipavsky, P.; Elmurodov, A.; Lin, P.-J.; Matlock, P.; Berdiyorov, G.R.
Title (up) Effect of normal current corrections on the vortex dynamics in type-II superconductors Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 14 Pages 144516-144518
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Within the time-dependent Ginzburg-Landau theory we discuss the effect of nonmagnetic interactions between the normal current and supercurrent in the presence of electric and magnetic fields. The correction due to the current-current interactions is shown to have a transient character so that it contributes only when a system evolves. Numerical studies for thin current-carrying superconducting strips with no magnetic feedback show that the effect of the normal current corrections is more pronounced in the resistive state where fast-moving kinematic vortices are formed. Simulations also reveal that the largest contribution due to current-current interactions appears near the sample edges, where the vortices reach their maximal velocity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000309809700007 Publication Date 2012-10-15
Series Editor Series Title Abbreviated Series Title
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 4 Open Access
Notes ; The authors are grateful to Alex Gurevich and Tom Lemberger who brought the longitudinal f-sum rule to our attention. This work was supported by Grants GACR P204/10/0687 and P204/11/0015. We also acknowledge the support from the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vl. P.-J.L. acknowledges support from Old Dominion University. P.M. acknowledges support through UA research index SR-614-1203. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:102168 Serial 827
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Author Berdiyorov, G.R.; Savel'ev, S.; Kusmartsev, F.V.; Peeters, F.M.
Title (up) Effect of ordered array of magnetic dots on the dynamics of Josephson vortices in stacked SNS Josephson junctions under DC and AC current Type A1 Journal article
Year 2015 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 88 Issue 88 Pages 286
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We use the anisotropic time-dependent Ginzburg-Landau theory to investigate the effect of a square array of out-of-plane magnetic dots on the dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting (SNS) Josephson junctions in the presence of external DC and AC currents. Periodic pinning due to the magnetic dots distorts the triangular lattice of fluxons and results in the appearance of commensurability features in the current-voltage characteristics of the system. For the larger values of the magnetization, additional peaks appear in the voltage-time characteristics of the system due to the creation and annihilation of vortex-antivortex pairs. Peculiar changes in the response of the system to the applied current is found resulting in a “superradiant” vortex-flow state at large current values, where a rectangular lattice of moving vortices is formed. Synchronizing the motion of fluxons by adding a small ac component to the biasing dc current is realized. However, we found that synchronization becomes difficult for large magnetization of the dots due to the formation of vortex-antivortex pairs.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000363960900002 Publication Date 2015-10-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 1 Open Access
Notes ; This work was supported by EU Marie Curie (Project No. 253057). ; Approved Most recent IF: 1.461; 2015 IF: 1.345
Call Number UA @ lucian @ c:irua:129509 Serial 4166
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Author Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M.
Title (up) Effect of pinning on the response of superconducting strips to an external pulsed current Type A1 Journal article
Year 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 28 Issue 28 Pages 025004
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000351046300010 Publication Date 2014-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.878 Times cited 19 Open Access
Notes ; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 2.878; 2015 IF: 2.325
Call Number c:irua:125491 Serial 829
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Author Berdiyorov, G.R.; Yu, S.H.; Xiao, Z.L.; Peeters, F.M.; Hua, J.; Imre, A.; Kwok, W.K.
Title (up) Effect of sample geometry on the phase boundary of a mesoscopic superconducting loop Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 80 Issue 6 Pages 064511,1-064511,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We studied the effect of sample geometry on the evolution of the superconducting state in nanoscale Nb circular and square loops by transport measurements. A multistage resistive transition with temperature is found for both samples, which is related to the effect of contact leads made from the same superconducting material. The H-T phase diagrams close to Tc0 show clear periodic oscillations on top of a parabolic background, i.e., Little-Parks effect. However, the amplitude of the oscillations decreases faster in the circular loop compared to the one in the square sample. Numerical simulations are conducted within the nonlinear Ginzburg-Landau theory to show the effect of sample geometry on the nucleation of superconductivity in superconducting loop structures.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000269638800067 Publication Date 2009-08-17
Series Editor Series Title Abbreviated Series Title
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 21 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:78292 Serial 833
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Author Shakouri, K.; Masir, M.R.; Jellal, A.; Choubabi, E.B.; Peeters, F.M.
Title (up) Effect of spin-orbit couplings in graphene with and without potential modulation Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 11 Pages 115408-115409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the effect of Rashba and intrinsic spin-orbit couplings on the electronic properties and spin configurations of Dirac fermions confined in: (i) a flat graphene sheet, (ii) a graphene wire with p-n-p structure, and (iii) a superlattice of graphene wires. The interplay between the spin-orbit interaction mechanisms breaks the electron-hole symmetry and the spin configuration induced by Rashba spin-orbit coupling lacks inversion symmetry in k space. We show that the Rashba spin-orbit interaction doubles the Fabry-Perot resonant modes in the transmission spectrum of a graphene wire and opens new channels for the electron transmission. Moreover, it leads to the appearance of spin split extra Dirac cones in the energy spectrum of a graphene superlattice. It is shown that the spin of the electrons and holes confined in a flat graphene sheet is always perpendicular to their motion while this is not the case for the other nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000323944600005 Publication Date 2013-09-05
Series Editor Series Title Abbreviated Series Title
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 36 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. The generous support provided by the Saudi Center for Theoretical Physics (SCTP) is highly appreciated by A.J. and E.B.C. They also thank the Deanship of Scientific Research at King Faisal University for funding this work under the Project No. 130193. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:110716 Serial 836
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Author Janssens, K.L.; Partoens, B.; Peeters, F.M.
Title (up) Effect of strain on the magnetoexciton ground state in InP/GaxIn1-xP quantum disks Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 67 Issue 23 Pages 235325,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000184040700063 Publication Date 2003-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:62432 Serial 837
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Author Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K.
Title (up) Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 120 Issue 120 Pages 225108
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000391535900022 Publication Date 2016-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 10 Open Access
Notes ; ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:141451 Serial 4554
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Author Berdiyorov, G.R.; Bahlouli, H.; Peeters, F.M.
Title (up) Effect of substitutional impurities on the electronic transport properties of graphene Type A1 Journal article
Year 2016 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 84 Issue 84 Pages 22-26
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Density-functional theory in combination with the nonequilibrium Green's function formalism is used to study the effect of substitutional doping on the electronic transport properties of hydrogen passivated zig-zag graphene nanoribbon devices. B, N and Si atoms are used to substitute carbon atoms located at the center or at the edge of the sample. We found that Si -doping results in better electronic transport as compared to the other substitutions. The transmission spectrum also depends on the location of the substitutional dopants: for single atom doping the largest transmission is obtained for edge substitutions, whereas substitutions in the middle of the sample give larger transmission for double carbon substitutions. The obtained results are explained in terms of electron localization in the system due to the presence of impurities. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher North-Holland Place of Publication Amsterdam Editor
Language Wos 000382489600004 Publication Date 2016-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.221 Times cited 17 Open Access
Notes ; H.B. and F.M.P. acknowledge the support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under research group project RG1329-1 and RG1329-2. G.R.B. acknowledges fruitful discussions with Dr. M.E. Madjet from Qatar Environment and Energy Research Institute. ; Approved Most recent IF: 2.221
Call Number UA @ lucian @ c:irua:135699 Serial 4301
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Author Doria, M.M.; Romaguera, A.R. de C.; Peeters, F.M.
Title (up) Effect of the boundary condition on the vortex patterns in mesoscopic three-dimensional superconductors: disk and sphere Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 75 Issue 6 Pages 064505,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000244533000072 Publication Date 2007-02-14
Series Editor Series Title Abbreviated Series Title
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 37 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:63791 Serial 844
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Author Shveigert, I.V.; Peeters, F.M.
Title (up) Effect of the size of nanoparticles on the properties of a capacitive high-frequency discharge Type A1 Journal article
Year 2007 Publication Journal of experimental and theoretical physics letters Abbreviated Journal Jetp Lett+
Volume 86 Issue 9 Pages 572-576
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The properties of a capacitive HF discharge with growing nanoparticles are studied with the use of kinetic PIC-MCC simulation. At the initial stage of growth, the nanoparticles are shown to be localized at the interface between the near-electrode layer and quasi-neutral plasma, where the rate of ionization by electron impact has the maximum value. At the beginning of formation of particles, plasma parameters change rapidly and a transition between the capacitive and spatial discharge burning modes is observed for a certain critical size of the particles. If the growth of the dust particles continues, their distribution over the discharge becomes more uniform and the steady-state parameters of the gas-discharge plasma hardly change.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000252531900004 Publication Date 2009-02-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-3640;1090-6487; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.235 Times cited 11 Open Access
Notes Approved Most recent IF: 1.235; 2007 IF: 1.378
Call Number UA @ lucian @ c:irua:67696 Serial 849
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