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Author (up) van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
  Title Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport Type A1 Journal article
  Year 2016 Publication Nano Research Abbreviated Journal Nano Res
  Volume 9 Issue 9 Pages 3394-3406
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000386770300018 Publication Date 2016-08-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.354 Times cited 2 Open Access
  Notes Approved Most recent IF: 7.354
  Call Number UA @ lucian @ c:irua:138210 Serial 4469
Permanent link to this record
 

 
Author (up) van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Current-voltage characteristics of armchair Sn nanoribbons Type A1 Journal article
  Year 2014 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R
  Volume 8 Issue 11 Pages 931-934
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Two-dimensional group-IV lattices silicene and germanene are known to share many of graphene's remarkable mechanical and electronic properties. Due to the out-of-plane buckling of the former materials, there are more means of electronic funtionalization, e.g. by applying uniaxial strain or an out-of-plane electric field. We consider monolayer hexagonal Sn (stanene) as an ideal candidate to feasibly implement and exploit graphene physics for nanoelectronic applications: with increased out-of-plane buckling and sizable spin-orbit coupling it lends itself to improved Dirac cone engineering. We investigate the ballistic charge transport regime of armchair Sn nanoribbons, classified according to the ribbon width W = {3m – 1, 3m, 3m + 1} with integer m. We study transport through (non-magnetic) armchair ribbons using a combination of density functional theory and non-equilibrium Green's functions. Sn ribbons have earlier current onsets and carry currents 20% larger than C/Si/Ge-nanoribbons as the contact resistance of these ribbons is found to be comparable. ((c) 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim)
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000345274300009 Publication Date 2014-09-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-6254; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.032 Times cited 9 Open Access
  Notes Approved Most recent IF: 3.032; 2014 IF: 2.142
  Call Number UA @ lucian @ c:irua:122148 Serial 594
Permanent link to this record
 

 
Author (up) van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title First-principles electronic functionalization of silicene and germanene by adatom chemisorption Type A1 Journal article
  Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
  Volume 291 Issue Pages 104-108
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329327700023 Publication Date 2013-09-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.387 Times cited 32 Open Access
  Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
  Call Number UA @ lucian @ c:irua:113766 Serial 1208
Permanent link to this record
 

 
Author (up) van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization Type A1 Journal article
  Year 2014 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 1 Issue Pages 021004
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000353650400004 Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 58 Open Access
  Notes Approved Most recent IF: 6.937; 2014 IF: NA
  Call Number UA @ lucian @ c:irua:134432 Serial 4530
Permanent link to this record
 

 
Author (up) van den Broek, M.; Peeters, F.M.
  Title Confined states in two-dimensional flat elliptic quantum dots and elliptic quantum wires Type A1 Journal article
  Year 2001 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume 11 Issue Pages 345-355
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000173201200007 Publication Date 2002-07-25
  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 54 Open Access
  Notes Approved Most recent IF: 2.221; 2001 IF: 1.009
  Call Number UA @ lucian @ c:irua:37307 Serial 486
Permanent link to this record
 

 
Author (up) van den Heuvel, W.; Tikhomirov, V.K.; Kirilenko, D.; Schildermans, N.; Chibotaru, L.F.; Vanacken, J.; Gredin, P.; Mortier, M.; Van Tendeloo, G.; Moshchalkov, V.V.
  Title Ultralow blocking temperature and breakdown of the giant spin model in Er3+-doped nanoparticles Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 82 Issue 9 Pages 094421-094421,8
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The magnetization of luminescent Er3+-doped PbF2 nanoparticles (formula Er0.3Pb0.7F2.3) has been studied. Despite the high concentration of the doping Er3+ ions and relatively large size (8 nm) of these nanoparticles we have found no deviation between field-cooled and zero-field-cooled magnetization curves down to T=0.35 K, which points out an ultralow blocking temperature for the reversal of magnetization. We also have found strongly deviating magnetization curves M(H/T) for different temperatures T. These results altogether show that the investigated nanoparticles are not superparamagnetic, but rather each Er3+ ion in these nanoparticles is found in a paramagnetic state down to very low temperatures, which implies the breakdown of the Néel-Brown giant spin model in the case of these nanoparticles. Calculations of magnetization within a paramagnetic model of noninteracting Er3+ ions completely support this conclusion. Due to the ultralow blocking temperature, these nanoparticles have a potential for magnetic field-induced nanoscale refrigeration with an option of their optical localization and temperature control.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000281773300005 Publication Date 2010-09-13
  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 11 Open Access
  Notes Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:85423 Serial 3796
Permanent link to this record
 

 
Author (up) van der Burgt, M.; Karavolas, V.C.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; van Hove, M.; Borghs, G.
  Title High field magnetotransport in a Ga0.8In0.2As quantum well with a parallel δ-layer Type P3 Proceeding
  Year 1995 Publication Abbreviated Journal
  Volume Issue Pages 588-591
  Keywords P3 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher World Scientific Place of Publication Singapore Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:12206 Serial 1431
Permanent link to this record
 

 
Author (up) van der Burgt, M.; Karavolas, V.C.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; van Hove, M.; Borghs, G.
  Title Magnetotransport in a pseudomorhic GaAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure with a Si δ-doping layer Type A1 Journal article
  Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 52 Issue Pages 12218-12231
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1995TB96600102 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 35 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:12192 Serial 1932
Permanent link to this record
 

 
Author (up) van der Burgt, M.; Karavolas, V.C.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; Van Hove, M.; Borghs, G.
  Title Magnetotransport in a pseudomorphic GaAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure with a Si \delta-doping layer Type A1 Journal article
  Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 52 Issue 16 Pages 12218-12231
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Magnetotransport properties of a pseudomorphic GsAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure are investigated in pulsed magnetic fields up to 50 T and at temperatures of T = 1.4 and 4.2 K. The structure studied consists of a Si delta layer parallel to a Ga0.8In0.2As quantum well (QW). The dark electron density of the structure is n(c) = 1.67 x 10(16) m(-2). By illumination the density can be increased up to a factor of 4; this way the second subband in the Ga0.08In0.2As QW can become populated as well as the Si delta layer. The presence of electrons in the delta layer results in drastic changes in the transport data, especially at magnetic fields beyond 30 T. The phenomena observed are interpreted as (i) magnetic freeze-out of carriers in the delta layer when a low density of electrons is present in the delta layer, and (ii) quantization of the electron motion in the two-dimensional electron gases in both the Ga0.8In0.2As QW and the Si delta layer in the case of high densities. These conclusions are corroborated by the numerical results of our theoretical model. We obtain satisfactory agreement between model and experiment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1995TB96600102 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 3.736 Times cited 43 Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:99708 Serial 1933
Permanent link to this record
 

 
Author (up) van der Burgt, M.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; Foxon, C.T.
  Title Measuring quantum Hall resistors in pulsed magnetic fields Type P3 Proceeding
  Year 1995 Publication Abbreviated Journal
  Volume Issue Pages 750-753
  Keywords P3 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher World Scientific Place of Publication Singapore Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12207 Serial 1968
Permanent link to this record
 

 
Author (up) van der Burgt, M.; Thoen, P.; Herlach, F.; Peeters, F.M.; Harris, J.J.; Foxon, C.T.
  Title The quantized Hall effect in pulsed magnetic fields Type A1 Journal article
  Year 1992 Publication Physica: B Abbreviated Journal Physica B
  Volume 177 Issue Pages 409-413
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1992HP25000086 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.319 Times cited 14 Open Access
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
  Call Number UA @ lucian @ c:irua:3026 Serial 2770
Permanent link to this record
 

 
Author (up) van der Burgt, M.; van Esch, A.; Peeters, F.M.; van Hove, M.; Borghs, G.; Herlach, F.
  Title High field transport in high carrier density GaAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructures Type A1 Journal article
  Year 1993 Publication Physica: B : condensed matter Abbreviated Journal Physica B
  Volume 184 Issue Pages 211-215
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1993KU62100042 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.319 Times cited 4 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:5792 Serial 1432
Permanent link to this record
 

 
Author (up) Van der Donck, M.
  Title Excitonic complexes in transition metal dichalcogenides and related materials Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal
  Volume Issue Pages 224 p.
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:162525 Serial 5412
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D.
  Title Three-dimensional electron-hole superfluidity in a superlattice close to room temperature Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
  Volume 102 Issue 6 Pages 060503
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000562320700001 Publication Date 2020-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 8 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
  Call Number UA @ admin @ c:irua:172064 Serial 6628
Permanent link to this record
 

 
Author (up) Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B.
  Title Piezoelectricity in asymmetrically strained bilayer graphene Type A1 Journal article
  Year 2016 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 3 Issue 3 Pages 035015
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000384072500003 Publication Date 2016-08-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 10 Open Access
  Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:137203 Serial 4361
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Peeters, F.M.
  Title Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 98 Issue 11 Pages 115432
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000445507000009 Publication Date 2018-09-24
  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 8 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:153622UA @ admin @ c:irua:153622 Serial 5125
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Peeters, F.M.
  Title Interlayer excitons in transition metal dichalcogenide heterostructures Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 98 Issue 11 Pages 115104
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and a hole in the other TMD layer. An expression for the electron-hole interaction potential is derived, taking into account the effect of the dielectric environment above, below, and between the two TMD layers as well as polarization effects in the transition metal layer and in the chalcogen layers of the TMD layers. We calculate the interlayer exciton binding energy and average in-plane interparticle distance for different TMD heterostructures. The effect of different dielectric environments on the exciton binding energy is investigated and a remarkable dependence on the dielectric constant of the barrier between the two layers is found, resulting from competing effects as a function of the in-plane and out-of-plane dielectric constants of the barrier. The polarization effects in the chalcogen layers, which in general reduce the exciton binding energy, can lead to an increase in binding energy in the presence of strong substrate effects by screening the substrate. The excitonic absorbance spectrum is calculated and we show that the interlayer exciton peak depends linearly on a perpendicular electric field, which agrees with recent experimental results.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000443671900004 Publication Date 2018-09-04
  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 41 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:153653UA @ admin @ c:irua:153653 Serial 5110
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Peeters, F.M.
  Title Excitonic complexes in anisotropic atomically thin two-dimensional materials : black phosphorus and TiS3 Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 98 Issue 23 Pages 235401
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The effect of anisotropy in the energy spectrum on the binding energy and structural properties of excitons, trions, and biexcitons is investigated. To this end we employ the stochastic variational method with a correlated Gaussian basis. We present results for the binding energy of different excitonic complexes in black phosphorus (bP) and TiS3 and compare them with recent results in the literature when available, for which we find good agreement. The binding energies of excitonic complexes in bP are larger than those in TiS3. We calculate the different average interparticle distances in bP and TiS3 and show that excitonic complexes in bP are strongly anisotropic whereas in TiS3 they are almost isotropic, even though the constituent particles have an anisotropic energy spectrum. This is also confirmed by the correlation functions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000452003400009 Publication Date 2018-12-03
  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 10 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:156247 Serial 5211
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Peeters, F.M.
  Title Spectrum of exciton states in monolayer transition metal dichalcogenides : angular momentum and Landau levels Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 99 Issue 11 Pages 115439
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A four-band exciton Hamiltonian is constructed starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs). The angular part of the exciton wave function can be separated from the radial part, in the case of zero center of mass momentum excitons, by exploiting the eigenstates of the total exciton angular momentum operator with which the Hamiltonian commutes. We explain why this approach fails for excitons with finite center of mass momentum or in the presence of a perpendicular magnetic field and present an approximation to resolve this issue. We calculate the (binding) energy and average interparticle distance of different excited exciton states in different TMDs and compare these with results available in the literature. Remarkably, we find that the intervalley exciton ground state in the -/+ K valley has angular momentum j = +/- 1, which is due to the pseudospin of the separate particles. The exciton mass and the exciton Landau levels are calculated and we find that the degeneracy of exciton states with opposite relative angular momentum is altered by a magnetic field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000462896400004 Publication Date 2019-03-28
  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 10 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:159406 Serial 5230
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Peeters, F.M.; Van Duppen, B.
  Title Comment on “Creating in-plane pseudomagnetic fields in excess of 1000 T by misoriented stacking in a graphene bilayer” Type Editorial
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 247401
  Keywords Editorial; Condensed Matter Theory (CMT)
  Abstract In a recent paper [Phys. Rev. B 89, 125418 (2014)], the authors argue that it is possible to map the electronic properties of twisted bilayer graphene to those of bilayer graphene in an in-plane magnetic field. However, their description of the low-energy dynamics of twisted bilayer graphene is restricted to the extended zone scheme and therefore neglects the effects of the superperiodic structure. If the energy spectrum is studied in the supercell Brillouin zone, we find that the comparison with an in-plane magnetic field fails because (i) the energy spectra of the two situations exhibit different symmetries and (ii) the low-energy spectra are very different.
  Address
  Corporate Author Thesis
  Publisher Amer physical soc Place of Publication College pk Editor
  Language Wos 000377802200009 Publication Date 2016-06-14
  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 6 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:134601 Serial 4151
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Author (up) Van der Donck, M.; Peeters, F.M.; Van Duppen, B.
  Title Transport properties of bilayer graphene in a strong in-plane magnetic field Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 115423
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A strong in-plane magnetic field drastically alters the low-energy spectrum of bilayer graphene by separating the parabolic energy dispersion into two linear Dirac cones. The effect of this dramatic change on the transport properties strongly depends on the orientation of the in-plane magnetic field with respect to the propagation direction of the charge carriers and the angle at which they impinge on the electrostatic potentials. For magnetic fields oriented parallel to the potential boundaries an additional propagating mode that results from the splitting into Dirac cones enhances the transmission probability for charge carriers tunneling through the potentials and increases the corresponding conductance. Our results show that the chiral suppression of transmission at normal incidence, reminiscent of bilayer graphene's 2 pi Berry phase, is turned into a chiral enhancement when the magnetic field increases, thus indicating a transition from a bilayer to a monolayer-like system at normal incidence. Further, we find that the typical transmission resonances stemming from confinement in a potential barrier are shifted to higher energy and are eventually transformed into antiresonances with increasing magnetic field. For magnetic fields oriented perpendicular to the potential boundaries we find a very pronounced transition from a bilayer system to two separated monolayer-like systems with Klein tunneling emerging at certain incident angles symmetric around 0, which also leaves a signature in the conductance. For both orientations of the magnetic field, the transmission probability is still correctly described by pseudospin conservation. Finally, to motivate the large in-plane magnetic field, we show that its energy spectrum can be mimicked by specific lattice deformations such as a relative shift of one of the layers. With this equivalence we introduce the notion of an in-plane pseudomagnetic field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000372409900006 Publication Date 2016-03-21
  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 11 Open Access
  Notes ; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO-Vl) through an aspirant research grant to M.V.D.D. and B.V.D. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:133197 Serial 4267
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Author (up) Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 3 Pages 035131
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000405706600005 Publication Date 2017-07-18
  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 50 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145209 Serial 4716
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Author (up) Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Strong valley Zeeman effect of dark excitons in monolayer transition metal dichalcogenides in a tilted magnetic field Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 8 Pages 081109
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The dependence of the excitonic photoluminescence (PL) spectrum of monolayer transition metal dichalcogenides (TMDs) on the tilt angle of an applied magnetic field is studied. Starting from a four-band Hamiltonian we construct a theory which quantitatively reproduces the available experimental PL spectra for perpendicular and in-plane magnetic fields. In the presence of a tilted magnetic field, we demonstrate that the dark exciton PL peaks brighten due to the in-plane component of the magnetic field and split for light with different circular polarizations as a consequence of the perpendicular component of the magnetic field. This splitting is more than twice as large as the splitting of the bright exciton peaks in tungsten-based TMDs. We propose an experimental setup that will allow for accessing the predicted splitting of the dark exciton peaks in the PL spectrum.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000425603600001 Publication Date 2018-02-21
  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 21 Open Access
  Notes ; This Rapid Communication was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:149913UA @ admin @ c:irua:149913 Serial 4948
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Author (up) Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Excitons, trions, and biexcitons in transition-metal dichalcogenides : magnetic-field dependence Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 19 Pages 195408
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The influence of a perpendicular magnetic field on the binding energy and structural properties of excitons, trions, and biexcitons in monolayers of semiconducting transition metal dichalcogenides (TMDs) is investigated. The stochastic variational method (SVM) with a correlated Gaussian basis is used to calculate the different properties of these few-particle systems. In addition, we present a simplified variational approach which supports the SVM results for excitons as a function of magnetic field. The exciton diamagnetic shift is compared with recent experimental results, and we extend this concept to trions and biexcitons. The effect of a local potential fluctuation, which we model by a circular potential well, on the binding energy of trions and biexcitons is investigated and found to significantly increase the binding of those excitonic complexes.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000432024800005 Publication Date 2018-05-07
  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 36 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.D.D. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:151521UA @ admin @ c:irua:151521 Serial 5025
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Author (up) Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Reply to “Comment on `Excitons, trions, and biexcitons in transition-metal dichalcogenides: Magnetic-field dependence'” Type Editorial
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
  Volume 101 Issue 12 Pages 127402
  Keywords Editorial; Condensed Matter Theory (CMT)
  Abstract In the Comment, the authors state that the separation of the relative and center of mass variables in our work is not correct. Here we point out that there is a typographical error, i.e., qi instead of -e, in two of our equations which, when corrected, makes the Comment redundant. Within the ansatzes mentioned in our paper all our results are correct, in contrast to the claims of the Comment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000519990800011 Publication Date 2020-03-18
  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
  Impact Factor 3.7 Times cited Open Access
  Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 3.836
  Call Number UA @ admin @ c:irua:167680 Serial 6594
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Author (up) van der Graaf, W.N.P.; Tempelman, C.H.L.; Hendriks, F.C.; Ruiz-Martinez, J.; Bals, S.; Weckhuysen, B.M.; Pidko, E.A.; Hensen, E.J.M.
  Title Deactivation of Sn-Beta during carbohydrate conversion Type A1 Journal article
  Year 2018 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen
  Volume 564 Issue 564 Pages 113-122
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The deactivation of Sn-Beta zeolite catalyst during retro-aldolization and isomerization of glucose is investigated. Confocal fluorescence microscopy reveals that retro-aldolization of glucose in CH3OH at 160 degrees C is accompanied with the build-up of insoluble oligomeric deposits in the micropores, resulting in a rapid catalyst deactivation. These deposits accumulate predominantly in the outer regions of the zeolite crystals, which points to mass transport limitations. Glucose isomerization in water is not only accompanied by the formation of insoluble deposits in the micropores, but also by the structural degradation of the zeolite due to desilication and destannation. Enhanced and sustained catalytic performance can be achieved by using ethanol/water mixtures as the reaction solvent instead of water.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000443669800012 Publication Date 2018-07-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-860x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.339 Times cited 25 Open Access OpenAccess
  Notes ; This work was performed in the framework of the CatchBio programme and the Joint Scientific Thematic Research Programme funded by the The Netherlands Organization for Scientific Research (NWO) and the Chinese Ministry of Science and Technology. J.R.M. acknowledges the Dutch Science Foundation (NWO) for his personal VENI grant. ; Approved Most recent IF: 4.339
  Call Number UA @ lucian @ c:irua:153715UA @ admin @ c:irua:153715 Serial 5088
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Author (up) van der Linden, V.; Schalm, O.; Houbraken, J.; Thomas, M.; Meesdom, E.; Devos, A.; van Dooren, R.; Nieuwdorp, H.; Janssen, E.; Janssens, K.
  Title Chemical analysis of 16th to 19th century Limoges School painted enamel objects in three museums of the Low Countries Type A1 Journal article
  Year 2010 Publication X-ray spectrometry Abbreviated Journal X-Ray Spectrom
  Volume 39 Issue 2 Pages 112-121
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In this study, the results of analysing of a series of 16th-19th century painted enamel objects of the Limoges School currently in collections in three Dutch and Flemish museums by means of portable and micro x-ray fluorescence analysis (PXRF and µ-XRF) and electron probe micro analysis (EPMA) are presented. The aim of the investigation was the authentication of specific pieces. Therefore, the glass compositions as well as the (glass) colouring agents used by the Limoges' artists were studied as a function of the age of the objects. Due to the evolution of these properties, it is possible to approximately date these objects based on their chemical composition. The complete émail peint collection of the Museum Boijmans-Van Beuningen (Rotterdam, The Netherlands), consisting of 20 émail peint plaques, was analysed with µ-XRF. Quantitative information was obtained by EPMA analysis of 15 enamel fragments of objects from museum and private collections in the Low Countries. PXRF analyses were performed on the painted enamel collection of the Antwerp Vleeshuis Museum (13 objects) and the Mayer van den Bergh Museum (4 objects) and on a set of 18 plaques that were donated to the Boijmans-Van Beuningen Museum by a private collector. The results obtained by means of EPMA, µ-XRF and PXRF proved to be useful in the discrimination of 16th century painted enamel objects from those of the19th century. From a total of 70 objects examined, 2 objects (OM964A and OM993) featured a chemical signature that deviated from the published literature composition and pigment use consistent with its presumed period of manufacture.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000275959400007 Publication Date 2009-08-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.298 Times cited 8 Open Access
  Notes ; ; Approved Most recent IF: 1.298; 2010 IF: 1.661
  Call Number UA @ admin @ c:irua:82325 Serial 5509
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Author (up) van der Linden, V.; Van de Casteele, E.; Thomas, M.S.; de Vos, A.; Janssen, E.; Janssens, K.
  Title Analysis of micro computed tomography images; a look inside historic enamelled metal objects Type A1 Journal article
  Year 2010 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
  Volume 98 Issue 2 Pages 385-392
  Keywords A1 Journal article; Vision lab; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In this study the usefulness of micro-Computed Tomography (µ-CT) for the in-depth analysis of enamelled metal objects was tested. Usually investigations of enamelled metal artefacts are restricted to non-destructive surface analysis or analysis of cross sections after destructive sampling. Radiography, a commonly used technique in the field of cultural heritage studies, is limited to providing two-dimensional information about a three-dimensional object (Lang and Middleton, Radiography of Cultural Material, pp. 6061, Elsevier-Butterworth-Heinemann, Amsterdam-Stoneham-London, 2005). Obtaining virtual slices and information about the internal structure of these objects was made possible by CT analysis. With this technique the underlying metal work was studied without removing the decorative enamel layer. Moreover visible defects such as cracks were measured in both width and depth and as of yet invisible defects and weaker areas are visualised. All these features are of great interest to restorers and conservators as they allow a view inside these objects without so much as touching them.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000272158200018 Publication Date 2009-09-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-8396 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.455 Times cited 3 Open Access
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “Atom” (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects nos. G.0177.03, G.0103.04 and G.0689.06. ; Approved Most recent IF: 1.455; 2010 IF: 1.765
  Call Number UA @ admin @ c:irua:80421 Serial 5469
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Author (up) Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A.
  Title How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study Type A1 Journal article
  Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 21 Issue 35 Pages 19327-19341
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000486175400045 Publication Date 2019-08-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 1 Open Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:162782 Serial 6303
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Author (up) Van der Paal, J.; Verlackt, C.C.; Yusupov, M.; Neyts, E.C.; Bogaerts, A.
  Title Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine Type A1 Journal article
  Year 2015 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 48 Issue 48 Pages 155202
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000351856600007 Publication Date 2015-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 20 Open Access
  Notes Approved Most recent IF: 2.588; 2015 IF: 2.721
  Call Number c:irua:124230 Serial 3242
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