toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author Neek-Amal, M.; Peeters, F.M. url  doi
openurl 
  Title Linear reduction of stiffness and vibration frequencies in defected circular monolayer graphene Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 23 Pages 11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000279336000001 Publication Date 2010-06-29  
  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 (up) 44 Open Access  
  Notes ; Financial support was provided by the Hungarian Research Foundation (Contracts No. OTKA K68312, No. K77771, No. K73361, and No. F68726). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:83857 Serial 1820  
Permanent link to this record
 

 
Author Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Mesoscopic field and current compensator based on a hybrid superconductor-ferromagnet structure Type A1 Journal article
  Year 2005 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 95 Issue Pages 147004,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000232229800059 Publication Date 2005-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: 8.462; 2005 IF: 7.489  
  Call Number UA @ lucian @ c:irua:57244 Serial 1999  
Permanent link to this record
 

 
Author Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Structural and dynamical aspects of small three-dimensional spherical Coulomb clusters Type A1 Journal article
  Year 2007 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 9 Issue Pages 283,1-29  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000249112500001 Publication Date 2007-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: 3.786; 2007 IF: 3.264  
  Call Number UA @ lucian @ c:irua:66120 Serial 3193  
Permanent link to this record
 

 
Author Zaikina, J.V.; Kovnir, K.A.; Sobolev, A.V.; Presniakov, I.A.; Prots, Y.; Baitinger, M.; Schnelle, W.; Olenev, A.V.; Lebedev, O.I.; Van Tendeloo, G.; Grin, Y.; Shevelkov, A.V. doi  openurl
  Title Sn20.5-3.5As22I8: a largely disordered cationic clathrate with a new type of superstructure and abnormally low thermal conductivity Type A1 Journal article
  Year 2007 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 13 Issue 18 Pages 5090-5099  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000247708300005 Publication Date 2007-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539;1521-3765; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: 5.317; 2007 IF: 5.330  
  Call Number UA @ lucian @ c:irua:65684 Serial 3556  
Permanent link to this record
 

 
Author Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. url  doi
openurl 
  Title Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 21 Issue 31 Pages 11556-11565  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000293190200018 Publication Date 2011-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:91945 Serial 3632  
Permanent link to this record
 

 
Author Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. url  doi
openurl 
  Title Two-band superconductors : extended Ginzburg-Landau formalism by a systematic expansion in small deviation from the critical temperature Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages 144514  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We derive the extended Ginzburg-Landau (GL) formalism for a clean s-wave two-band superconductor by employing a systematic expansion of the free-energy functional and the corresponding matrix gap equation in powers of the small deviation from the critical temperature tau = 1 – T/T-c. The two lowest orders of this expansion produce the equation for T-c and the standard GL theory. It is shown that in agreement with previous studies, this two-band GL theory maps onto the single-band GL model and thus fails to describe the difference in the spatial profiles of the two-band condensates. We prove that this difference appears already in the leading correction to the standard GL theory, which constitutes the extended GL formalism. We derive linear differential equations that determine the leading corrections to the band order parameters and magnetic field, discuss the validity of these equations, and consider examples of an important interplay between the band condensates. Finally, we present numerical results for the thermodynamic critical magnetic field and temperature-dependent band gaps for recent materials of interest, which are in very good agreement with those obtained from the full BCS approach in a wide temperature range. To this end, we emphasize the advantages of our extended GL theory in comparison with the often used two-component GL-like model based on an unreconstructed two-band generalization of the Gor'kov derivation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309776800001 Publication Date 2012-10-12  
  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 (up) 44 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Authors are indebted to Y. Singh and R. Prozorov for discussions and for providing recent experimental data. A. V. is grateful to W. Pesch for stimulating discussions and critical comments on this work. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101798 Serial 3769  
Permanent link to this record
 

 
Author Percebom, A.M.M.; Giner-casares, J.J.; Claes, N.; Bals, S.; Loh, W.; Liz-Marzan, L.M. pdf  url
doi  openurl
  Title Janus Gold Nanoparticles Obtained via Spontaneous Binary Polymer Shell Segregation Type A1 Journal article
  Year 2016 Publication Chemical communications Abbreviated Journal Chem Commun  
  Volume 52 Issue 52 Pages 4278-4281  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Janus gold nanoparticles are of high interest because they allow directed self-assembly and display plasmonic properties. We succeeded in coating gold nanoparticles with two different polymers that form a Janus shell. The spontaneous segregation of two immiscible polymers at the surface of the nanoparticles was verified by NOESY NMR and most importantly by electron microscopy analysis in two and three dimensions. The Janus structure is additionally shown to affect the aggregation behavior of the nanoparticles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372176500003 Publication Date 2016-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-7345 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.319 Times cited (up) 44 Open Access OpenAccess  
  Notes Funding is acknowledged from the European Research Council (ERC Advanced Grant #267867 Plasmaquo, and ERC Starting Grant #335078 Colouratom). A.M.P. thanks the Brazilian FAPESP for financial support (FAPESP 2012/21930-3 and 2014/01807-8) and J.J. G.-C. acknowledges the Spanish MINECO for a Juan de la Cierva fellowship (#JCI-2012-12517). We thank Ada Herrero Ruiz and Daniel Padró for help with NMR measurements, Malou Henriksen for cell experiments and the Brazilian Synchrotron Laboratory (LNLS) for allocation of SAXS beamtime.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 6.319  
  Call Number c:irua:133168 Serial 4009  
Permanent link to this record
 

 
Author Pavlović, S.; Peeters, F.M. url  doi
openurl 
  Title Electronic properties of triangular and hexagonal MoS2 quantum dots Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 155410  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding approach, we calculate the electronic structure of triangular and hexagonal MoS2 quantum dots. Due to the orbital asymmetry we show that it is possible to form quantum dots with the same shape but having different electronic properties. The electronic states of triangular and hexagonal quantum dots are explored, as well as the local and total density of states and the convergence towards the bulk spectrum with dot size is investigated. Our calculations show that: (1) edge states appear in the band gap, (2) that there are a larger number of electronic states in the conduction band as compared to the valence band, and (3) the relative number of edge states decreases with increasing dot size.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000352591200005 Publication Date 2015-04-11  
  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 (up) 44 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. Stefan Pavlovic is supported by JoinEU-SEE IV, Erasmus Mundus Action 2 programme. We thank J. M. Pereira for interesting discussions. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:132516 Serial 4170  
Permanent link to this record
 

 
Author Neubert, S.; Mitoraj, D.; Shevlin, S.A.; Pulisova, P.; Heimann, M.; Du, Y.; Goh, G.K.L.; Pacia, M.; Kruczała, K.; Turner, S.; Macyk, W.; Guo, Z.X.; Hocking, R.K.; Beranek, R.; url  doi
openurl 
  Title Highly efficient rutile TiO2 photocatalysts with single Cu(II) and Fe(III) surface catalytic sites Type A1 Journal article
  Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 4 Issue 4 Pages 3127-3138  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Highly active photocatalysts were obtained by impregnation of nanocrystalline rutile TiO2 powders with small amounts of Cu(II) and Fe(III) ions, resulting in the enhancement of initial rates of photocatalytic degradation of 4-chlorophenol in water by factors of 7 and 4, compared to pristine rutile, respectively. Detailed structural analysis by EPR and X-ray absorption spectroscopy (EXAFS) revealed that Cu(II) and Fe(III) are present as single species on the rutile surface. The mechanism of the photoactivity enhancement was elucidated by a combination of DFT calculations and detailed experimental mechanistic studies including photoluminescence measurements, photocatalytic experiments using scavengers, OH radical detection, and photopotential transient measurements. The results demonstrate that the single Cu(II) and Fe(III) ions act as effective cocatalytic sites, enhancing the charge separation, catalyzing “dark” redox reactions at the interface, thus improving the normally very low quantum yields of UV light-activated TiO2 photocatalysts. The exact mechanism of the photoactivity enhancement differs depending on the nature of the cocatalyst. Cu(II)-decorated samples exhibit fast transfer of photogenerated electrons to Cu(II/I) sites, followed by enhanced catalysis of dioxygen reduction, resulting in improved charge separation and higher photocatalytic degradation rates. At Fe(III)-modified rutile the rate of dioxygen reduction is not improved and the photocatalytic enhancement is attributed to higher production of highly oxidizing hydroxyl radicals produced by alternative oxygen reduction pathways opened by the presence of catalytic Fe(III/II) sites. Importantly, it was demonstrated that excessive heat treatment (at 450 degrees C) of photocatalysts leads to loss of activity due to migration of Cu(II) and Fe(III) ions from TiO2 surface to the bulk, accompanied by formation of oxygen vacancies. The demonstrated variety of mechanisms of photoactivity enhancement at single site catalyst-modified photocatalysts holds promise for developing further tailored photocatalysts for various applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000371077300040 Publication Date 2015-12-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:132322 Serial 4191  
Permanent link to this record
 

 
Author Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title Dependence of the shape of graphene nanobubbles on trapped substance Type A1 Journal article
  Year 2017 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 8 Issue 8 Pages 15844  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403417500001 Publication Date 2017-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited (up) 44 Open Access  
  Notes We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). Approved Most recent IF: 12.124  
  Call Number CMT @ cmt @ c:irua:144189 Serial 4580  
Permanent link to this record
 

 
Author Mogg, L.; Hao, G.-P.; Zhang, S.; Bacaksiz, C.; Zou, Y.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. url  doi
openurl 
  Title Atomically thin micas as proton-conducting membranes Type A1 Journal article
  Year 2019 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol  
  Volume 14 Issue 10 Pages 962-+  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Monolayers of graphene and hexagonal boron nitride (hBN) are highly permeable to thermal protons1,2. For thicker two-dimensional (2D) materials, proton conductivity diminishes exponentially, so that, for example, monolayer MoS2 that is just three atoms thick is completely impermeable to protons1. This seemed to suggest that only one-atom-thick crystals could be used as proton-conducting membranes. Here, we show that few-layer micas that are rather thick on the atomic scale become excellent proton conductors if native cations are ion-exchanged for protons. Their areal conductivity exceeds that of graphene and hBN by one to two orders of magnitude. Importantly, ion-exchanged 2D micas exhibit this high conductivity inside the infamous gap for proton-conducting materials3, which extends from ∼100 °C to 500 °C. Areal conductivity of proton-exchanged monolayer micas can reach above 100 S cm−2 at 500 °C, well above the current requirements for the industry roadmap4. We attribute the fast proton permeation to ~5-Å-wide tubular channels that perforate micas’ crystal structure, which, after ion exchange, contain only hydroxyl groups inside. Our work indicates that there could be other 2D crystals5 with similar nanometre-scale channels, which could help close the materials gap in proton-conducting applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000488977100016 Publication Date 2019-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1748-3387; 1748-3395 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 38.986 Times cited (up) 44 Open Access  
  Notes ; The work was supported by the Lloyd's Register Foundation, the Engineering and Physical Sciences Research Council (EPSRC)-EP/N010345/1, EP/M010619/1 and EP/ P009050/1, the European Research Council, the Graphene Flagship and the Royal Society. M.L.-H. acknowledges a Leverhulme Early Career Fellowship, G.-P.H. acknowledges a Marie Curie International Incoming Fellowship, and L.M. acknowledges the EPSRC NOWNano programme for funding. Y.Z. acknowledges the assistance of Eric Prestat in TEM specimen preparation. Computational resources were provided by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; Approved Most recent IF: 38.986  
  Call Number UA @ admin @ c:irua:163589 Serial 5407  
Permanent link to this record
 

 
Author Lind, O.C.; Salbu, B.; Janssens, K.; Proost, K.; Garcia-León, M.; Garcia-Tenorio, R. doi  openurl
  Title Characterization of U/Pu particles originating from the nuclear weapon accidents at Palomares, Spain, 1966 and Thule, Greenland, 1968 Type A1 Journal article
  Year 2007 Publication The science of the total environment Abbreviated Journal Sci Total Environ  
  Volume 376 Issue Pages 294-305  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000245776400026 Publication Date 2007-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.9 Times cited (up) 44 Open Access  
  Notes Approved Most recent IF: 4.9; 2007 IF: 2.182  
  Call Number UA @ admin @ c:irua:64601 Serial 5506  
Permanent link to this record
 

 
Author Imran, M.; Ramade, J.; Di Stasio, F.; De Franco, M.; Buha, J.; Van Aert, S.; Goldoni, L.; Lauciello, S.; Prato, M.; Infante, I.; Bals, S.; Manna, L. url  doi
openurl 
  Title Alloy CsCdxPb1–xBr3Perovskite Nanocrystals: The Role of Surface Passivation in Preserving Composition and Blue Emission Type A1 Journal article
  Year 2020 Publication Chemistry Of Materials Abbreviated Journal Chem Mater  
  Volume 32 Issue Pages acs.chemmater.0c03825  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Various strategies have been proposed to engineer the band gap of metal halide perovskite nanocrystals (NCs) while preserving their structure and composition and thus ensuring spectral stability of the emission color. An aspect that has only been marginally investigated is how the type of surface passivation influences the structural/color stability of AMX3 perovskite NCs composed of two different M2+ cations. Here, we report the synthesis of blue-emitting Cs-oleate capped CsCdxPb1–xBr3 NCs, which exhibit a cubic perovskite phase containing Cd-rich domains of Ruddlesden–Popper phases (RP phases). The RP domains spontaneously transform into pure orthorhombic perovskite ones upon NC aging, and the emission color of the NCs shifts from blue to green over days. On the other hand, postsynthesis ligand exchange with various Cs-carboxylate or ammonium bromide salts, right after NC synthesis, provides monocrystalline NCs with cubic phase, highlighting the metastability of RP domains. When NCs are treated with Cs-carboxylates (including Cs-oleate), most of the Cd2+ ions are expelled from NCs upon aging, and the NCs phase evolves from cubic to orthorhombic and their emission color changes from blue to green. Instead, when NCs are coated with ammonium bromides, the loss of Cd2+ ions is suppressed and the NCs tend to retain their blue emission (both in colloidal dispersions and in electroluminescent devices), as well as their cubic phase, over time. The improved compositional and structural stability in the latter cases is ascribed to the saturation of surface vacancies, which may act as channels for the expulsion of Cd2+ ions from NCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000603288800034 Publication Date 2020-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.6 Times cited (up) 44 Open Access OpenAccess  
  Notes European Commission; Fonds Wetenschappelijk Onderzoek, G.0267.18N ; H2020 European Research Council, 770887 815128 851794 ; We acknowledge funding from the FLAG-ERA JTC2019 project PeroGas. S.B., and S.V.A. acknowledges funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants #815128REALNANO and #770887PICOMETRICS) and from the Research Foundation Flanders (FWO, Belgium) through project funding G.0267.18N. F.D.S. acknowledges the funding from ERC starting grant NANOLED (851794). The computational work was carried out on the Dutch National e-infrastructure with the support of the SURF Cooperative; sygma Approved Most recent IF: 8.6; 2020 IF: 9.466  
  Call Number EMAT @ emat @c:irua:174004 Serial 6659  
Permanent link to this record
 

 
Author Zhao, H.J.; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Analysis of pattern formation in systems with competing range interactions Type A1 Journal article
  Year 2012 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 14 Issue Pages 063032  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We analyzed pattern formation and identified various morphologies in a system of particles interacting through a non-monotonic potential with a competing range interaction characterized by a repulsive core (r < r(c)) and an attractive tail (r > r(c)), using molecular-dynamics simulations. Depending on parameters, the interaction potential models the inter-particle interaction in various physical systems ranging from atoms, molecules and colloids to vortices in low kappa type-II superconductors and in recently discovered 'type-1.5' superconductors. We constructed a 'morphology diagram' in the plane 'critical radius r(c)-density n' and proposed a new approach to characterizing the different types of patterns. Namely, we elaborated a set of quantitative criteria in order to identify the different pattern types, using the radial distribution function (RDF), the local density function and the occupation factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000306946600003 Publication Date 2012-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited (up) 45 Open Access  
  Notes ; We acknowledge useful discussions with Ernst Helmut Brandt, Charles Reichhardt and Cynthia Olson Reichhardt. This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.786; 2012 IF: 4.063  
  Call Number UA @ lucian @ c:irua:101140 Serial 102  
Permanent link to this record
 

 
Author Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C. doi  openurl
  Title Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 23 Pages 11648-11653  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332470000017 Publication Date 2014-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited (up) 45 Open Access Not_Open_Access  
  Notes ; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:117298 Serial 168  
Permanent link to this record
 

 
Author Colomer, J.-F.; Benoit, J.-M.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Nagy, J.B. doi  openurl
  Title Characterization of single-wall carbon nanotubes produced by CCVD method Type A1 Journal article
  Year 2001 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 345 Issue Pages 11-17  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000171066300003 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited (up) 45 Open Access  
  Notes Approved Most recent IF: 1.815; 2001 IF: 2.364  
  Call Number UA @ lucian @ c:irua:54775 Serial 332  
Permanent link to this record
 

 
Author Xu, W.; Peeters, F.M.; Devreese, J.T. url  doi
openurl 
  Title Electrophonon resonances in a quasi-two-dimensional electron system Type A1 Journal article
  Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 48 Issue 3 Pages 1562-1570  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract When the energy difference between two electric subbands in a quasi-two-dimensional electron system equals a LO-phonon energy, resonant scattering will occur. This leads to an enhancement of the scattering rate and, consequently, to a suppression of the conductivity. Changing the energy difference between the electric subbands (e.g., through a gate) leads to a series of electrophonon resonances in the conductivity. A detailed study is made of this effect for different confinement potentials. We found that the scattering processes where the emission of a phonon is involved are very important for the electrophonon resonance and that the size of the effect decreases with increasing temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1993LP05000024 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 (up) 45 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:5747 Serial 1022  
Permanent link to this record
 

 
Author Afanasov, I.M.; Shornikova, O.N.; Avdeev, V.V.; Lebedev, O.I.; Van Tendeloo, G.; Matveev, A.T. pdf  doi
openurl 
  Title Expanded graphite as a support for Ni/carbon composites Type A1 Journal article
  Year 2009 Publication Carbon Abbreviated Journal Carbon  
  Volume 47 Issue 2 Pages 513-518  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Expanded graphite decorated with nickel oxide particles (EGNiO) has been synthesized through electrochemical oxidation of natural graphite in an aqueous nickel nitrate solution followed by a heat treatment. EGNiO was used to prepare nickel/carbon composites using two techniques: (a) hydrogen reduction of nickel oxide particles loaded on the expanded graphite surface and (b) pyrolysis of coal tar pitch-impregnated EGNiO blocks. The EGNiO as well as the nickel/carbon composites have been characterized by X-ray diffraction, scanning and transmission electron microscopy, energy dispersive X-ray spectroscopy and selected area electron diffraction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000262558300018 Publication Date 2008-11-11  
  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 (up) 45 Open Access  
  Notes Iap-Vi Approved Most recent IF: 6.337; 2009 IF: 4.504  
  Call Number UA @ lucian @ c:irua:76033 Serial 1132  
Permanent link to this record
 

 
Author Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Fluxonic cellular automata Type A1 Journal article
  Year 2007 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 91 Issue 21 Pages 212501,1-3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000251105500023 Publication Date 2007-11-19  
  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 (up) 45 Open Access  
  Notes Approved Most recent IF: 3.411; 2007 IF: 3.596  
  Call Number UA @ lucian @ c:irua:67176 Serial 1245  
Permanent link to this record
 

 
Author Kong, M.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Topological defects and nonhomogeneous melting of large two-dimensional Coulomb clusters Type A1 Journal article
  Year 2003 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 67 Issue 2 Pages 021608,1-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000181520200051 Publication Date 2003-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited (up) 45 Open Access  
  Notes Approved Most recent IF: 2.366; 2003 IF: 2.202  
  Call Number UA @ lucian @ c:irua:62441 Serial 3677  
Permanent link to this record
 

 
Author Yang, W.; Misko, V.R.; Nelissen, K.; Kong, M.; Peeters, F.M. doi  openurl
  Title Using self-driven microswimmers for particle separation Type A1 Journal article
  Year 2012 Publication Soft matter Abbreviated Journal Soft Matter  
  Volume 8 Issue 19 Pages 5175-5179  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Microscopic self-propelled swimmers capable of autonomous navigation through complex environments provide appealing opportunities for localization, pick-up and delivery of micro and nanoscopic objects. Inspired by motile cells and bacteria, man-made microswimmers have been fabricated, and their motion in patterned surroundings has been experimentally studied. We propose to use self-driven artificial microswimmers for the separation of binary mixtures of colloids. We revealed different regimes of separation, including one with a velocity inversion. Our findings could be of use for various biological and medical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000303208700009 Publication Date 2012-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1744-683X;1744-6848; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.889 Times cited (up) 45 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-V1) (Belgium), the National Natural Science Foundation of China (No. 11047111), the State Key Program of National Natural Science of China (No. 51135007), the Research Fund for the Doctoral Program of Higher Education of China (No. 20111415120002), and the Major State Basic Research Development Program of China (973) (No. 2009CB724201). ; Approved Most recent IF: 3.889; 2012 IF: 3.909  
  Call Number UA @ lucian @ c:irua:98326 Serial 3826  
Permanent link to this record
 

 
Author Peeters, F.M.; Schweigert, V.A.; Baelus, B.J.; Deo, P.S. doi  openurl
  Title Vortex matter in mesoscopic superconducting disks and rings Type A1 Journal article
  Year 2000 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 144 Issue Pages 255-262  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000087245200045 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited (up) 45 Open Access  
  Notes Approved Most recent IF: 1.404; 2000 IF: 1.489  
  Call Number UA @ lucian @ c:irua:28522 Serial 3871  
Permanent link to this record
 

 
Author Perez, A.J.; Batuk, D.; Saubanère, M.; Rousse, G.; Foix, D.; Mc Calla, E.; J. Berg, E.; Dugas, R.; van den Bos, K. H. W.; Doublet, M.-L.; Gonbeau, D.; Abakumov, A.M.; Van Tendeloo, G.; Tarascon, J.-M. pdf  url
doi  openurl
  Title Strong oxygen participation in the redox governing the structural and electrochemical properties of Na-rich layered oxide Na2IrO3 Type A1 Journal article
  Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 28 Issue 28 Pages 8278-8288  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The recent revival of the Na-ion battery concept has prompted intense activities in the search for new Na-based layered oxide positive electrodes. The largest capacity to date was obtained for a Na-deficient layered oxide that relies on cationic redox processes only. To go beyond this limit, we decided to chemically manipulate these Na-based layered compounds in a way to trigger the participation of the anionic network. We herein report the electrochemical properties of a Na-rich phase Na2IrO3, which can reversibly cycle 1.5 Na+ per formula unit while not suffering from oxygen release nor cationic migrations. Such large capacities, as deduced by complementary XPS, X-ray/neutron diffraction and transmission electron microscopy measurements, arise from cumulative cationic and anionic redox processes occurring simultaneously at potentials as low as 3.0 V. The inability to remove more than 1.5 Na+ is rooted in the formation of an O1-type phase having highly stabilized Na sites as confirmed by DFT calculations, which could rationalize as well the competing metal/oxygen redox processes in Na2IrO3. This work will help to define the most fertile directions in the search for novel high energy Na-rich materials based on more sustainable elements than Ir.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000388914500021 Publication Date 2016-10-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited (up) 45 Open Access  
  Notes The authors thank Montse Casas-Cabanas and Marine Reynaud for discussions about the FAULTS program, Sandra Van Aert for her great help in guiding us towards the use of the statistical parameter estimation method for establishing the O-O histogram, and Thomas Hansen and Vladimir Pomjakushin for their precious help in neutron diffraction experiments. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland, and at Institut Laue Langevin, Grenoble, France. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged. Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @ c:irua:135994 Serial 4287  
Permanent link to this record
 

 
Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. url  doi
openurl 
  Title Tight-binding model for borophene and borophane Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 12 Pages 125424  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations, we construct a tight-binding (TB) model in the two-centre approximation for borophene and hydrogenated borophene (borophane). The Slater and Koster approach is applied to calculate the TB Hamiltonian of these systems. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in a nonorthogonal basis set. An anisotropic Dirac cone is found in the band structure of borophane. We derive a Dirac low-energy Hamiltonian and compare the Fermi velocities with that of graphene.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000427983700004 Publication Date 2018-03-21  
  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 (up) 45 Open Access  
  Notes ; Discussions with Dr. Vahid Derakhshan and M. A. M. Keshtan are gratefully acknowledged. This paper is supported by the Methusalem program of the Flemish government and the FLAT-ERA Project TRANS-2D-TMD. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:150836UA @ admin @ c:irua:150836 Serial 4987  
Permanent link to this record
 

 
Author Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Reumermann, P.; Luzardo, N.M.; Witters, N.; Broeze, J. doi  openurl
  Title A techno-economic evaluation of a biomass energy conversion park Type A1 Journal article
  Year 2013 Publication Applied Energy Abbreviated Journal Appl Energ  
  Volume 104 Issue Pages 611-622  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Biomass as a renewable energy source has many advantages and is therefore recognized as one of the main renewable energy sources to be deployed in order to attain the target of 20% renewable energy use of final energy consumption by 2020 in Europe. In this paper the concept of a biomass Energy Conversion Park (ECP) is introduced. A biomass ECP can be defined as a synergetic, multi-dimensional biomass conversion site with a highly integrated set of conversion technologies in which a multitude of regionally available biomass (residue) sources are converted into energy and materials. A techno-economic assessment is performed on a case study in the Netherlands to illustrate the concept and to comparatively assess the highly integrated system with two mono-dimensional models. The three evaluated models consist of (1) digestion of the organic fraction of municipal solid waste, (2) co-digestion of manure and co-substrates, and (3) integration. From a socio-economic point of view it can be concluded that it is economically and energetically more interesting to invest in the integrated model than in two separate models. The integration is economically feasible and environmental benefits can be realized. For example, the integrated model allows the implementation of a co-digester. Unmanaged manure would otherwise represent a constant pollution risk. However, from an investor's standpoint one should firstly invest in the municipal solid waste digester since the net present value (NPV) of this mono-dimensional model is higher than that of the multi-dimensional model. A sensitivity analysis is performed to identify the most influencing parameters. Our results are of interest for companies involved in the conversion of biomass. The conclusions are useful for policy makers when deciding on policy instruments concerning manure processing or biogas production. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000316152700062 Publication Date 2012-12-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0306-2619 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.182 Times cited (up) 45 Open Access  
  Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. Furthermore, the authors gratefully acknowledge the financial support from INTERREG and the province of Limburg (Belgium). Also, we would like to thank all remaining partners of the ECP project (Eloi Schreurs, Dries Maes, Kristian Coppoolse, Han ten Berge, Bert Annevelink, Nathalie Devriendt, Erwin Cornelissen, Hannes Pieper, Pieter Vollaard, Jan Venselaar, and Hessel Abbink Spaink) for their support and contributions. Finally, we would like to express our gratitude towards the organization of the eighth International Conference on Renewable Resources and Biorefineries in Toulouse (France) for giving us the opportunity to present and thereby fine-tune our work. ; Approved Most recent IF: 7.182; 2013 IF: 5.261  
  Call Number UA @ admin @ c:irua:127552 Serial 6145  
Permanent link to this record
 

 
Author Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. pdf  url
doi  openurl
  Title Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 35 Pages 355504-355508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539375800001 Publication Date 2020-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited (up) 45 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; Approved Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:169756 Serial 6616  
Permanent link to this record
 

 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. pdf  doi
openurl 
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type A1 Journal article
  Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 226 Issue 5/6 Pages 475-483  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994PE00500008 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited (up) 46 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10256 Serial 37  
Permanent link to this record
 

 
Author Peeters, F.M.; Wu, X.; Devreese, J.T.; Langerak, C.J.G.M.; Singleton, J.; Barnes, D.J.; Nicholas, R.J. doi  openurl
  Title Carrier-concentration-dependent polaron cyclotron resonance in GaAs-heterostructures Type A1 Journal article
  Year 1992 Publication Physical review: B Abbreviated Journal Phys Rev B  
  Volume 45 Issue Pages 4296-4300  
  Keywords 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 A1992HF82800041 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 (up) 46 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:2890 Serial 283  
Permanent link to this record
 

 
Author Chaves, A.; Komendová, L.; Milošević, M.V.; Andrade, J.S.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Conditions for nonmonotonic vortex interaction in two-band superconductors Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 21 Pages 214523-214523,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000292252300009 Publication Date 2011-06-30  
  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 (up) 46 Open Access  
  Notes ; Discussions with A. Moreira, A. Shanenko, R. Prozorov, and A. Golubov are gratefully acknowledged. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral project FWO-CNPq, CAPES, and PRONEX/CNPq/FUNCAP. ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:90922 Serial 477  
Permanent link to this record
 

 
Author Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 16 Pages 165412-165412,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000282569500011 Publication Date 2010-10-07  
  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 (up) 46 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (FW/08/01). A. D. H. acknowledges also support from ANPCyT (under Grant No. PICT2008-2236) ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85030 Serial 996  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: