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Author Peeters, F.M.; Devreese, J.T.; Verbist, G.
Title Possible (bi) polaron effects in the high-tc superconductors Type A1 Journal article
Year 1991 Publication Physica scripta T2 – 11TH General Conf. Of the Condensed Matter Division of the European Physical Society, April 08-11, 1991, Exeter, England Abbreviated Journal Phys Scripta
Volume T39 Issue Pages 66-70
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In the present paper, the theory of the large bipolaron is reviewed and the possibility of bipolaron formation in the high-T(c) superconductors is indicated. Operator and path-integral formulations of the large bipolaron problem are compared. In the strong-coupling limit, the effect of non-optimal upper-bounds to the single-polaron groundstate energy is emphasized. The fact that the interaction with multiple phonon branches enhances the electron-phonon interaction and might result in a larger stability region for bipolaron formation is indicated. Experimental values for the static and high-frequency dielectric constants are used to discuss the relevance of bipolaron formation as a pair-forming mechanism in the high-T(c) superconductors.
Address
Corporate Author Thesis
Publisher Royal Swedish Acad. Sciences Place of Publication Stockholm Editor
Language Wos A1991GV57300008 Publication Date 2007-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.126 Times cited 29 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:95974 Serial 2683
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Resonant bound bipolarons in a superlattice in a high magnetic field Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 397-400
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300096 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.925 Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:15816 Serial 2884
Permanent link to this record
 
 
Author Peeters, F.M.; Shi, J.M.; Devreese, J.T.; Cheng, J.-P.; McCombe, B.D.; Schaff, W.
Title Resonant magneto-polarons in strongly-coupled superlattices Type A1 Journal article
Year 1994 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 37 Issue Pages 1217-1220
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos A1994NE79600157 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.504 Times cited 5 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:9275 Serial 2886
Permanent link to this record
 
 
Author Peeters, F.M.; Wu, X.G.; Devreese, J.T.; Watts, M.; Nicholas, R.J.; Howell, D.F.; van Bockstal, L.; Herlach, F.; Langerak, C.J.G.M.; Singleton, J.; Chevy, A.
Title Resonant magnetopolaron coupling to both polar and neutral optical phonons in the layer compound InSe Type A1 Journal article
Year 1992 Publication Surface science Abbreviated Journal Surf Sci
Volume 263 Issue Pages 654-658
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992HF18600133 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.925 Times cited 4 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:2894 Serial 2887
Permanent link to this record
 
 
Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T.; Wendler, L.
Title Screening of the electron-phonon interaction in quasi-one-dimensional semiconductor structures Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 48 Issue 16 Pages 12016-12022
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993ME60100059 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 41 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:5751 Serial 2955
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Shallow donor impurities in GaAs/AlxGa1-xAs superlattices in a magnetic-field Type A1 Journal article
Year 1994 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 50 Issue 20 Pages 15182-15190
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1994PV86500054 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 71 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:99812 Serial 2986
Permanent link to this record
 
 
Author Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T.
Title Stability of multipolaron matter Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 47 Issue 5 Pages 2596-2601
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993KL78900022 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 10 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:5745 Serial 3127
Permanent link to this record
 
 
Author Xu, W.; Peeters, F.M.; Devreese, J.T.
Title Streaming-to-accumulation transition in a 2-dimensional electron-system in a polar semiconductor Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 46 Issue 12 Pages 7571-7580
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract Hot-electron transport is studied for a two-dimensional electron gas coupled to longitudinal-optical phonons in crossed electric and magnetic fields. At low electric and high magnetic fields the electrons are accumulated, while at high electric fields they are in a streaming state. We develop a streaming-to-accumulation transition model and compare the results with that from a Monte Carlo simulation.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1992JQ37800028 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 13 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:103023 Serial 3174
Permanent link to this record
 
 
Author Wen, X.; Peeters, F.M.; Devreese, J.T.
Title Streaming-to-accumulation transition in a two-dimensional electron system in a polar semiconductor Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 46 Issue Pages 7571-7580
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992JQ37800028 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 13 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:2913 Serial 3175
Permanent link to this record
 
 
Author Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling analysis of large bipolarons in 2 and 3 dimensions Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 45 Issue 10 Pages 5262-5269
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In the limit of strong electron-phonon coupling, we use either a Pekar-type or an oscillator wave function for the center-of-mass coordinate and either a Coulomb or an oscillator wave function for the relative coordinate, and are able to reproduce all the results from the literature for the large-bipolaron binding energy. Lower bounds are constructed for the critical ratio eta(c) of dielectric constants below which bipolarons can exist. It is found that, in the strong-coupling limit, the stability region for bipolaron formation is much larger in two dimensions (2D) than in 3D. We introduce a model that combines the averaging of the relative coordinate over the asymptotically best wave function with a path-integral treatment of the center-of-mass motion. The stability region for bipolaron formation is increased compared with the full path-integral treatment at large values of the coupling constant alpha. The critical values are alpha(c) almost-equal-to 9.3 in 3D and alpha(c) almost-equal-to 4.5 in 2D. Phase diagrams for the presented models are also obtained in both 2D and 3D.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1992HJ68900016 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 68 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:103051 Serial 3178
Permanent link to this record
 
 
Author Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling analysis of large bipolarons in two and three dimensions Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 45 Issue Pages 5262-5269
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992HJ68900016 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 68 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:2891 Serial 3179
Permanent link to this record
 
 
Author Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling limit for one-dimensional polarons in a finite box Type A1 Journal article
Year 1996 Publication Zeitschrift für Physik: B: condensed matter and quanta Abbreviated Journal
Volume 99 Issue Pages 345-351
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1996TW44800007 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0722-3277;1431-584X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:15035 Serial 3180
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title D- states in GaAs/AlxGa1-xAs superlattices in a magnetic field Type A1 Journal article
Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 51 Issue Pages 7714-7724
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1995QQ59800035 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 76 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:11692 Serial 3529
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Transition energies of D- centers in a superlattice Type A1 Journal article
Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 305 Issue Pages 220-224
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994ND67400039 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.925 Times cited 6 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9272 Serial 3698
Permanent link to this record
 
 
Author Xu, W.; Peeters, F.M.; Devreese, J.T.
Title Warm-electron transport in a two-dimensional semiconductor Type A1 Journal article
Year 1992 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech
Volume 7 Issue Pages 1251-1256
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1992JT73000006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0268-1242 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.19 Times cited 3 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:2915 Serial 3903
Permanent link to this record
 
 
Author Ariskin, D.A.; Schweigert, I.V.; Alexandrov, A.L.; Bogaerts, A.; Peeters, F.M.
Title Modeling of chemical processes in the low pressure capacitive radio frequency discharges in a mixture of Ar/C2H2 Type A1 Journal article
Year 2009 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 105 Issue 6 Pages 063305,1-063305,9
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We study the properties of a capacitive 13.56 MHz discharge with a mixture of Ar/C<sub>2</sub>H<sub>2</sub> taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ion transports and plasmochemical processes. A significant change in plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000264774000059 Publication Date 2009-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 21 Open Access
Notes Approved Most recent IF: 2.068; 2009 IF: 2.072
Call Number UA @ lucian @ c:irua:74496 Serial 2121
Permanent link to this record
 
 
Author Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M.
Title Theoretical study of the stable states of small carbon clusters Cn (n=210) Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 78 Issue 23 Pages 235433,1-235433,8
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262245400119 Publication Date 2008-12-24
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 35 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76006 Serial 3613
Permanent link to this record
 
 
Author de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M.
Title Ionized water confined in graphene nanochannels Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 18 Pages 9285-9295
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract When confined between graphene layers, water behaves differently from the bulk and exhibits unusual properties such as fast water flow and ordering into a crystal. The hydrogen-bonded network is affected by the limited space and by the characteristics of the confining walls. The presence of an extraordinary number of hydronium and hydroxide ions in narrow channels has the following effects: (i) they affect water permeation through the channel, (ii) they may interact with functional groups on the graphene oxide surface and on the edges, and (iii) they change the thermochemistry of water, which are fundamentally important to understand, especially when confined water is subjected to an external electric field. Here we study the physical properties of water when confined between two graphene sheets and containing hydronium and hydroxide. We found that: (i) there is a disruption in the solvation structure of the ions, which is also affected by the layered structure of confined water, (ii) hydronium and hydroxide occupy specific regions inside the nanochannel, with a prevalence of hydronium (hydroxide) ions at the edges (interior), and (iii) ions recombine more slowly in confined systems than in bulk water, with the recombination process depending on the channel height and commensurability between the size of the molecules and the nanochannel height – a decay of 20% (40%) in the number of ions in 8 ps is observed for a channel height of h = 7 angstrom (bulk water). Our work reveals distinctive properties of water confined in a nanocapillary in the presence of additional hydronium and hydroxide ions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472922500028 Publication Date 2019-03-22
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 10 Open Access
Notes ; This work was supported by the Fund for Scientific Research Flanders (FWO-Vl) and the Methusalem programe. ; Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:161377 Serial 5419
Permanent link to this record
 
 
Author Jalali, H.; Ghorbanfekr, H.; Hamid, I.; Neek-Amal, M.; Rashidi, R.; Peeters, F.M.
Title Out-of-plane permittivity of confined water Type A1 Journal article
Year 2020 Publication Physical Review E Abbreviated Journal Phys Rev E
Volume 102 Issue 2 Pages 022803
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The dielectric properties of confined water is of fundamental interest and is still controversial. For water confined in channels with height smaller than h = 8 angstrom, we found a commensurability effect and an extraordinary decrease in the out-of-plane dielectric constant down to the limit of the dielectric constant of optical water. Spatial resolved polarization density data obtained from molecular dynamics simulations are found to be antisymmetric across the channel and are used as input in a mean-field model for the dielectric constant as a function of the height of the channel for h > 15 angstrom. Our results are in excellent agreement with a recent experiment [L. Fumagalli et al., Science 360, 1339 (2018)].
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000560660400004 Publication Date 2020-08-11
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 38 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:171157 Serial 6574
Permanent link to this record
 
 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M.
Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
Year 2023 Publication Physical review E Abbreviated Journal Phys Rev E
Volume 107 Issue 3 Pages 034501-34510
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000955986000006 Publication Date 2023-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.4 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.4; 2023 IF: 2.366
Call Number UA @ admin @ c:irua:196089 Serial 7586
Permanent link to this record
 
 
Author Gogoi, A.; Neyts, E.C.; Peeters, F.M.
Title Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions Type A1 Journal article
Year 2024 Publication Physical chemistry, chemical physics Abbreviated Journal
Volume 26 Issue 13 Pages 10265-10272
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Modelling and Simulation in Chemistry (MOSAIC)
Abstract Graphene oxide (GO) is one of the most promising candidates for next generation of atomically thin membranes. Nevertheless, one of the major issues for real world application of GO membranes is their undesirable swelling in an aqueous environment. Recently, we demonstrated that generation of H3O+ and OH- ions (e.g., with an external electric field) in the interlayer gallery could impart aqueous stability to the layered GO membranes (A. Gogoi, ACS Appl. Mater. Interfaces, 2022, 14, 34946). This, however, compromises the water flux through the membrane. In this study, we report on reducing the GO nanosheets as a solution to this issue. With the reduction of the GO nanosheets, the water flux through the layered GO membrane initially increases and then decreases again beyond a certain degree of reduction. Here, two key factors are at play. Firstly, the instability of the H-bond network between water molecules and the GO nanosheets, which increases the water flux. Secondly, the pore size reduction in the interlayer gallery of the membranes, which decreases the water flux. We also observe a significant improvement in the salt rejection of the membranes, due to the dissociation of water molecules in the interlayer gallery. In particular, for the case of 10% water dissociation, the water flux through the membranes can be enhanced without altering its selectivity. This is an encouraging observation as it breaks the traditional tradeoff between water flux and salt rejection of a membrane.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001186465400001 Publication Date 2024-03-15
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
Impact Factor 3.3 Times cited Open Access
Notes Approved Most recent IF: 3.3; 2024 IF: 4.123
Call Number UA @ admin @ c:irua:204792 Serial 9168
Permanent link to this record
 
 
Author Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M.
Title Carbon clusters: from ring structures to nanographene Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 19 Pages 195414,1-195414,12
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278142000103 Publication Date 2010-05-10
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 55 Open Access
Notes ; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83385 Serial 278
Permanent link to this record
 
 
Author Dzhurakhalov, A.A.; Peeters, F.M.
Title Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane Type A1 Journal article
Year 2011 Publication Carbon Abbreviated Journal Carbon
Volume 49 Issue 10 Pages 3258-3266
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
Abstract Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000291959300014 Publication Date 2011-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 46 Open Access
Notes ; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 6.337; 2011 IF: 5.378
Call Number UA @ lucian @ c:irua:90877 Serial 3275
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Author Reijniers, J.; Peeters, F.M.
Title Diffusive transport in the hybrid Hall effect device Type A1 Journal article
Year 2000 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 87 Issue Pages 8088-8092
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000087067400075 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 12 Open Access
Notes Approved Most recent IF: 2.068; 2000 IF: 2.180
Call Number UA @ lucian @ c:irua:28516 Serial 703
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Author Reijniers, J.; Peeters, F.M.; Matulis, A.
Title Electron scattering on circular symmetric magnetic profiles in a two-dimensional electron gas Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 64 Issue Pages 245314
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000173082500066 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 29 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:37277 Serial 985
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Author Reijniers, J.; Peeters, F.M.; Matulis, A.
Title The Hall resistivity of a two-dimensional electron gas in the presence of magnetic clusters with perpendicular magnetization Type A1 Journal article
Year 2000 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 6 Issue Pages 759-762
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher North-Holland Place of Publication Amsterdam Editor
Language Wos 000085770600180 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 9 Open Access
Notes Approved Most recent IF: 2.221; 2000 IF: 0.878
Call Number UA @ lucian @ c:irua:28525 Serial 1405
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Author Reijniers, J.; Peeters, F.M.
Title Hybrid ferromagnetic/semiconductor Hall effect device Type A1 Journal article
Year 1998 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 73 Issue Pages 357-359
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000075275600027 Publication Date 2002-07-26
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 35 Open Access
Notes Approved Most recent IF: 3.411; 1998 IF: 3.349
Call Number UA @ lucian @ c:irua:24171 Serial 1519
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Author Reijniers, J.; Peeters, F.M.; Matulis, A.
Title Quantum states in a magnetic anti-dot Type A1 Journal article
Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 59 Issue Pages 2817-2823
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000078463100050 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 92 Open Access
Notes Approved Most recent IF: 3.836; 1999 IF: NA
Call Number UA @ lucian @ c:irua:24157 Serial 2789
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Author Reijniers, J.; Peeters, F.M.
Title Resistance effects due to magnetic guiding orbits Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 63 Issue Pages 165317
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000168343400067 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 27 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:37293 Serial 2878
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Author Reijniers, J.; Peeters, F.M.
Title Snake orbits and related magnetic edge states Type A1 Journal article
Year 2000 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 12 Issue Pages 9771-9786
Keywords (down) A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000165795500009 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 66 Open Access
Notes Approved Most recent IF: 2.649; 2000 IF: 1.608
Call Number UA @ lucian @ c:irua:34352 Serial 3045
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