Nano Home

NANOlab Center of Excellence literature database

Home |  Show All |  Simple Search |  Advanced Search
Quick Search:
91–120 of 371 records found matching your query (RSS):
toggle visibility
Search within Results:
Display Options:
Select All    Deselect All << 1 2 3 4 5 6 7 8 9 10 11 12 13 >>
List View
 | 
Citations
 | 
Details
   print
  Records Links
Author (down) Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. url  doi
openurl 
  Title Thermomechanical properties of a single hexagonal boron nitride sheet Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184106-184107  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean-square height fluctuations < h(2)> and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN (i) is about 16% smaller than the one of GE at room temperature (300 K), and (ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal-expansion coefficient, and Gruneisen parameter are estimated to be 25.2 J mol(-1) K-1, 7.2 x 10(-6) K-1, and 0.89, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318653800001 Publication Date 2013-05-08  
  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 80 Open Access  
  Notes ; We thank K. H. Michel and D. A. Kirilenko for their useful comments on the manuscript. M. N.-A. was supported by EU-Marie Curie IIF Postdoctorate Fellowship No. 299855. S. Costamagna was supported by the Belgian Science Foundation (BELSPO). This work was supported by the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem program of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109010 Serial 3638  
Permanent link to this record
 
 
Author (down) Shuhui Sun, Gaixia Zhang, Nicolas Gauquelin, Ning Chen, Jigang Zhou, Songlan Yang, Weifeng Chen, Xiangbo Meng, Dongsheng Geng, Mohammad N. Banis, Ruying Li, Siyu Ye, Shanna Knights, Gianluigi A. Botton, Tsun-Kong Sham & Xueliang Sun url  doi
openurl 
  Title Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition Type A1 Journal Article
  Year 2013 Publication Scientific Reports Abbreviated Journal  
  Volume 3 Issue Pages 1775  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and

automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize

their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt

atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the

capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle.

The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the

state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the

low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the

excellent performance. This work is anticipated to form the basis for the exploration of a next generation of

highly efficient single-atom catalysts for various applications.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318334300004 Publication Date 2013-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 345 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4543  
Permanent link to this record
 
 
Author (down) Shi, H.; Frenzel, J.; Schryvers, D. pdf  doi
openurl 
  Title EM characterization of precipitates in as-cast and annealed Ni45.5Ti45.5Nb9 shape memory alloys Type P1 Proceeding
  Year 2013 Publication Materials science forum Abbreviated Journal  
  Volume 738/739 Issue Pages 113-117  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)  
  Abstract Nb-rich precipitates in the matrix of as-cast and annealed Ni45.5Ti45.5Nb9 alloys are investigated by scanning and scanning transmission electron microscopy, including slice-and-view and geometric phase analysis (GPA). The Nb-rich bcc nano-precipitates in the as-cast alloy have a 10% lattice parameter difference with the B2 matrix and reveal compensating interface dislocations. The 3D reconstruction of the configuration of small Nb-rich precipitates in the annealed alloy reveals a wall-like distribution of precipitates, which may increase the thermal hysteresis of the material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000316089000020 Publication Date 2013-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes Fwo Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:104690 Serial 1028  
Permanent link to this record
 
 
Author (down) Shi, H.; Delville, R.; Srivastava, V.; James, R.D.; Schryvers, D. doi  openurl
  Title Microstructural dependence on middle eigenvalue in Ti-Ni-Au Type A1 Journal article
  Year 2013 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd  
  Volume 582 Issue Pages 703-707  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The microstructure of various compounds of the Ti-Ni-Au alloy system is investigated by transmission electron microscopy in relation with changing lattice parameters improving the compatibility conditions between austenite and martensite expressed by the lambda(2) = 1 equation based on the Geometrically NonLinear Theory of Martensite (GNLTM). Although local differences in microstructure are observed, when increasing the gold content compound twins are replaced by Type I twins, while twinned lamellar structures are replaced by untwinned plates and self-accommodating structures when lambda(2) = 1 is approached, all confirming the predictions of the GNLTM. (c) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000325468100114 Publication Date 2013-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited 8 Open Access  
  Notes Approved Most recent IF: 3.133; 2013 IF: 2.726  
  Call Number UA @ lucian @ c:irua:112209 Serial 2042  
Permanent link to this record
 
 
Author (down) Shestakov, M.V.; Meledina, M.; Turner, S.; Tikhomirov, V.K.; Verellen, N.; Rodríguez, V.D.; Velázquez, J.J.; Van Tendeloo, G.; Moshchalkov, V.V. pdf  doi
openurl 
  Title The size and structure of Ag particles responsible for surface plasmon effects and luminescence in Ag homogeneously doped bulk glass Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 114 Issue 7 Pages 073102-73105  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract As-prepared and heat-treated oxyfluoride glasses, co-doped with Ag nanoclusters/nanoparticles, are prepared at 0.15 at. % Ag concentration. The as-prepared glass shows an absorption band in the UV/violet attributed to the presence of amorphous Ag nanoclusters with an average size of 1.1 nm. The luminescence spectra of the untreated glass can also be ascribed to these Ag nanoclusters. Upon heat-treatment, the clusters coalesce into Ag nanoparticles with an average size of 2.3 nm, and the glasses show an extra surface plasmon absorption band in the visible. These particles, however, cease to emit due to ascribing plasmonic properties of bulk silver.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000323510900003 Publication Date 2013-08-16  
  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 19 Open Access  
  Notes Fwo Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109455 Serial 3031  
Permanent link to this record
 
 
Author (down) Shariat, M.; Shokri, B.; Neyts, E.C. doi  openurl
  Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 590 Issue Pages 131-135  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000327721000024 Publication Date 2013-10-27  
  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 14 Open Access  
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991  
  Call Number UA @ lucian @ c:irua:112775 Serial 2439  
Permanent link to this record
 
 
Author (down) Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. doi  openurl
  Title Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation Type A1 Journal article
  Year 2013 Publication Carbon Abbreviated Journal Carbon  
  Volume 65 Issue Pages 269-276  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000326773200031 Publication Date 2013-08-23  
  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 21 Open Access  
  Notes Approved Most recent IF: 6.337; 2013 IF: 6.160  
  Call Number UA @ lucian @ c:irua:112697 Serial 2635  
Permanent link to this record
 
 
Author (down) Shapoval, O.; Huehn, S.; Verbeeck, J.; Jungbauer, M.; Belenchuk, A.; Moshnyaga, V. pdf  doi
openurl 
  Title Interface-controlled magnetism and transport of ultrathin manganite films Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 17 Pages 17c711-3  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report ferromagnetic, T-C = 240 K, and metallic, T-MI = 250 K, behaviors of a three unit cell thick interface engineered lanthanum manganite film, grown by metalorganic aerosol deposition technique on SrTiO3(100) substrates. Atomically resolved electron microscopy and chemical analysis show that ultrathin manganite films start to grow with La-O layer on a strongly Mn/Ti-intermixed interface, engineered by an additional deposition of 2 u.c. of Sr-Mn-O. Such interface engineering results in a hole-doped manganite layer and stabilizes ferromagnetism and metallic conductivity down to the thickness of d = 3 u.c. The films with d = 8 u.c. demonstrate a bulk-like transport behavior with T-MI similar to T-C = 310 – 330 K. (C) 2013 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000319292800195 Publication Date 2013-03-19  
  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 7 Open Access  
  Notes Ifox; Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109009UA @ admin @ c:irua:109009 Serial 1692  
Permanent link to this record
 
 
Author (down) Shanenko, A.A.; Orlova, N.V.; Vagov, A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. pdf  doi
openurl 
  Title Nanofilms as quantum-engineered multiband superconductors : the Ginzburg-Landau theory Type A1 Journal article
  Year 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue 2 Pages 27003-27006  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently fabricated single-crystalline atomically flat metallic nanofilms are in fact quantum-engineered multiband superconductors. Here the multiband structure is dictated by the nanofilm thickness through the size quantization of the electron motion perpendicular to the nanofilm. This opens the unique possibility to explore superconductivity in well-controlled multi-band systems. However, a serious obstacle is the absence of a convenient and manageable theoretical tool to access new physical phenomena in such quasi-two-dimensional systems, including interplay of quantum confinement and fluctuations. Here we cover this gap and construct the appropriate multiband Ginzburg-Landau functional for nano-thin superconductors. Copyright (C) EPLA, 2013  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000319617700019 Publication Date 2013-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 8 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109859 Serial 2257  
Permanent link to this record
 
 
Author (down) Shakouri, K.; Masir, M.R.; Jellal, A.; Choubabi, E.B.; Peeters, F.M. url  doi
openurl 
  Title Effect of spin-orbit couplings in graphene with and without potential modulation Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 11 Pages 115408-115409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the effect of Rashba and intrinsic spin-orbit couplings on the electronic properties and spin configurations of Dirac fermions confined in: (i) a flat graphene sheet, (ii) a graphene wire with p-n-p structure, and (iii) a superlattice of graphene wires. The interplay between the spin-orbit interaction mechanisms breaks the electron-hole symmetry and the spin configuration induced by Rashba spin-orbit coupling lacks inversion symmetry in k space. We show that the Rashba spin-orbit interaction doubles the Fabry-Perot resonant modes in the transmission spectrum of a graphene wire and opens new channels for the electron transmission. Moreover, it leads to the appearance of spin split extra Dirac cones in the energy spectrum of a graphene superlattice. It is shown that the spin of the electrons and holes confined in a flat graphene sheet is always perpendicular to their motion while this is not the case for the other nanostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000323944600005 Publication Date 2013-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 36 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. The generous support provided by the Saudi Center for Theoretical Physics (SCTP) is highly appreciated by A.J. and E.B.C. They also thank the Deanship of Scientific Research at King Faisal University for funding this work under the Project No. 130193. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110716 Serial 836  
Permanent link to this record
 
 
Author (down) Shakouri, K.; Badalyan, S.M.; Peeters, F.M. url  doi
openurl 
  Title Helical liquid of snake states Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 19 Pages 195404-195405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000326820200007 Publication Date 2013-11-07  
  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 3 Open Access  
  Notes ; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:112712 Serial 1416  
Permanent link to this record
 
 
Author (down) Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M. doi  openurl
  Title Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 114 Issue 12 Pages 124307-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000325391100057 Publication Date 2013-09-26  
  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 10 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:112201 Serial 750  
Permanent link to this record
 
 
Author (down) Sels, D.; Brosens, F.; Magnus, W. doi  openurl
  Title Wigner distribution functions for complex dynamical systems : a path integral approach Type A1 Journal article
  Year 2013 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A  
  Volume 392 Issue 2 Pages 326-335  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000311135200004 Publication Date 2012-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.243 Times cited 9 Open Access  
  Notes ; ; Approved Most recent IF: 2.243; 2013 IF: 1.722  
  Call Number UA @ lucian @ c:irua:101414 Serial 3921  
Permanent link to this record
 
 
Author (down) Schryvers, D.; Van Aert, S.; Delville, R.; Idrissi, H.; Turner, S.; Salje, E.K.H. pdf  doi
openurl 
  Title Dedicated TEM on domain boundaries from phase transformations and crystal growth Type A1 Journal article
  Year 2013 Publication Phase transitions Abbreviated Journal Phase Transit  
  Volume 86 Issue 1 Pages 15-22  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Investigating domain boundaries and their effects on the behaviour of materials automatically implies the need for detailed knowledge on the structural aspects of the atomic configurations at these interfaces. Not only in view of nearest neighbour interactions but also at a larger scale, often surpassing the unit cell, the boundaries can contain structural elements that do not exist in the bulk. In the present contribution, a number of special boundaries resulting from phase transformations or crystal growth and those recently investigated by advanced transmission electron microscopy techniques in different systems will be reviewed. These include macrotwins between microtwinned martensite plates in NiAl, austenite-single variant martensite habit planes in low hysteresis NiTiPd, nanotwins in non-textured nanostructured Pd and ferroelastic domain boundaries in CaTiO3. In all discussed cases these boundaries play an essential role in the properties of the respective materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000312586700003 Publication Date 2012-12-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.06 Times cited Open Access  
  Notes Fwo; Iap Approved Most recent IF: 1.06; 2013 IF: 1.044  
  Call Number UA @ lucian @ c:irua:101222 Serial 612  
Permanent link to this record
 
 
Author (down) Schryvers, D.; Shi, H.; Martinez, G.T.; Van Aert, S.; Frenzel, J.; Van Humbeeck, J. pdf  doi
openurl 
  Title Nano- and microcrystal investigations of precipitates, interfaces and strain fields in Ni-Ti-Nb by various TEM techniques Type P1 Proceeding
  Year 2013 Publication Materials science forum T2 – 9th European Symposium on Martensitic Transformations (ESOMAT 2012), SEP 09-16, 2012, St Petersburg, RUSSIA Abbreviated Journal  
  Volume 738/739 Issue Pages 65-71  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)  
  Abstract In the present contribution several advanced electron microscopy techniques are employed in order to describe chemical and structural features of the nano- and microstructure of a Ni45.5Ti45.5Nb9 alloy. A line-up of Nb-rich nano-precipitates is found in the Ni-Ti-rich austenite of as-cast material. Concentration changes of the matrix after annealing are correlated with changes in the transformation temperatures. The formation of rows and plates of larger Nb-rich precipitates and particles is described. The interaction of a twinned martensite plate with a Nb-rich nano-precipitate is discussed and the substitution of Nb atoms on the Ti-sublattice in the matrix is confirmed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000316089000011 Publication Date 2013-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access  
  Notes Fwo Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:104692 Serial 2247  
Permanent link to this record
 
 
Author (down) Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S. pdf  url
doi  openurl
  Title Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials Type A1 Journal article
  Year 2013 Publication Science and technology of advanced materials Abbreviated Journal Sci Technol Adv Mat  
  Volume 14 Issue 1 Pages 014206-14213  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Sendai Editor  
  Language Wos 000316463800008 Publication Date 2013-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1468-6996;1878-5514; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.798 Times cited 6 Open Access  
  Notes Fwo; Iap; Esteem Approved Most recent IF: 3.798; 2013 IF: 2.613  
  Call Number UA @ lucian @ c:irua:107343 Serial 77  
Permanent link to this record
 
 
Author (down) Schryvers, D.; Cao, S.; Pourbabak; Shi, H.; Lu doi  openurl
  Title Recent EM investigations on nano-and micro-defect structures in SMAs Type A1 Journal article
  Year 2013 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd  
  Volume 577 Issue s:[1] Pages S705-S709  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The present contribution reviews some recent electron microscopy investigations on different shape memory systems in which a variety of nano- and micro-defect structures play an essential role in the functional behaviour of the material. (NiTi3)-Ti-4 precipitates in Ni-Ti are a well-known example for which the focus is now on the 3D configurations, in Ni-Ti-Nb Nb-rich nanoprecipitates are thought to have a large impact on the hysteresis, in Co-Ni-Al an Al-enriched zone nearby the y'-precipitates yields a small sandwiched austenite while some first signs of quasidynamical lattice deformation in non-frozen Ni-Ti strain glass are measured by Cs-aberration-corrected transmission electron microscopy. (C) 2011 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science sa Place of Publication Lausanne Editor  
  Language Wos 000329891400146 Publication Date 2011-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited 7 Open Access  
  Notes Approved Most recent IF: 3.133; 2013 IF: 2.726  
  Call Number UA @ lucian @ c:irua:114832 Serial 2839  
Permanent link to this record
 
 
Author (down) Schouteden, K.; Zeng, Y.-J.; Lauwaet, K.; Romero, C.P.; Goris, B.; Bals, S.; Van Tendeloo, G.; Lievens, P.; Van Haesendonck, C. pdf  url
doi  openurl
  Title Band structure quantization in nanometer sized ZnO clusters Type A1 Journal article
  Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 5 Issue 9 Pages 3757-3763  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanometer sized ZnO clusters are produced in the gas phase and subsequently deposited on clean Au(111) surfaces under ultra-high vacuum conditions. The zinc blende atomic structure of the approximately spherical ZnO clusters is resolved by high resolution scanning transmission electron microscopy. The large band gap and weak n-type conductivity of individual clusters are determined by scanning tunnelling microscopy and spectroscopy at cryogenic temperatures. The conduction band is found to exhibit clear quantization into discrete energy levels, which can be related to finite-size effects reflecting the zero-dimensional confinement. Our findings illustrate that gas phase cluster production may provide unique possibilities for the controlled fabrication of high purity quantum dots and heterostructures that can be size selected prior to deposition on the desired substrate under controlled ultra-high vacuum conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000317859400026 Publication Date 2013-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 13 Open Access  
  Notes FWO; Hercules; COUNTATOMS Approved Most recent IF: 7.367; 2013 IF: 6.739  
  Call Number UA @ lucian @ c:irua:108518 Serial 219  
Permanent link to this record
 
 
Author (down) Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. url  doi
openurl 
  Title Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 15 Issue 36 Pages 15091-15097  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000323520600029 Publication Date 2013-07-16  
  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 3 Open Access  
  Notes ; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. ; Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:110793 Serial 3130  
Permanent link to this record
 
 
Author (down) Schattschneider, P.; Löffler, S.; Verbeeck, J. url  doi
openurl 
  Title Comment on “Quantized orbital angular momentum transfer and magnetic dichroism in the interaction of electron vortices with matter” Type Editorial
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 110 Issue 18 Pages 189501-189502  
  Keywords Editorial; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000319019300019 Publication Date 2013-05-02  
  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 8 Open Access  
  Notes Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:109014UA @ admin @ c:irua:109014 Serial 410  
Permanent link to this record
 
 
Author (down) Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A. doi  openurl
  Title Vibrational properties of silicene and germanene Type A1 Journal article
  Year 2013 Publication Nano Research Abbreviated Journal Nano Res  
  Volume 6 Issue 1 Pages 19-28  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313658800003 Publication Date 2012-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1998-0124;1998-0000; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.354 Times cited 105 Open Access  
  Notes Approved Most recent IF: 7.354; 2013 IF: 6.963  
  Call Number UA @ lucian @ c:irua:110106 Serial 3846  
Permanent link to this record
 
 
Author (down) Satyawali, Y.; Van Roy, S.; Roevens, A.; Meynen, V.; Mullens, S.; Jochems, P.; Doyen, W.; Cauwenberghs, L.; Dejonghe, W. pdf  doi
openurl 
  Title Characterization and analysis of the adsorption immobilization mechanism of \beta-galactosidase on metal oxide powders Type A1 Journal article
  Year 2013 Publication RSC advances Abbreviated Journal  
  Volume 3 Issue 46 Pages 24054-24062  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Immobilization of the enzymes plays a vital role in enhancing their applicability in a wide range of applications, thus ensuring the use of sustainable enzymatic processes over the conventional chemical processes on an industrial scale. This study provides the background information for the selection and screening of inorganic metal oxide (MO) powders for their use as fillers in mixed matrix membranes for enzyme immobilization as the future aim. A total of 13 MOs, ranging in size from 0.01 μm to <5 μm, were tested for their performance as a support for enzyme (β-galactosidase) immobilization via adsorption. Alumina appeared to be the best performing MO with the amount and activity of the immobilized enzyme being 64 mg g−1 and up to 288 U g−1, respectively. The amount of immobilized enzyme on alumina (α-Al2O3 C and γ-Al2O3) was >3 times higher than ZrO2 (used as a reference MO in this study). Upon heat treatment at 900 °C, up to 15%, 52% and 42% decline was observed in the amount of immobilized enzyme in case of alumina metal oxides (MOs), ZrO2 and TiO2, respectively. The results suggested that both isoelectric point and surface area of the MO influence the immobilization. The most important observation in this study was that the bonding of the enzyme to the MO surface seems to be mediated by the bonding/interaction of the buffer to the enzyme.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000326745100030 Publication Date 2013-10-11  
  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 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:111300 Serial 7607  
Permanent link to this record
 
 
Author (down) Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO Type A1 Journal article
  Year 2013 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 74 Issue 1 Pages 45-50  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000311062500009 Publication Date 2012-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.059 Times cited 36 Open Access  
  Notes Fwo; Bof-Nio Approved Most recent IF: 2.059; 2013 IF: 1.594  
  Call Number UA @ lucian @ c:irua:101782 Serial 3004  
Permanent link to this record
 
 
Author (down) Saniz, R.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors : a Green function approach Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 6 Pages 064510-64513  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315374100009 Publication Date 2013-02-25  
  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 6 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). R.S. thanks M. R. Norman, B. Soree, and L. Komendova for useful comments. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107072 Serial 487  
Permanent link to this record
 
 
Author (down) Samal, D.; Tan, H.; Molegraaf, H.; Kuiper, B.; Siemons, W.; Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Takamura, Y.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G. url  doi
openurl 
  Title Experimental evidence for oxygen sublattice control in polar infinite layer SrCuO2 Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 111 Issue 9 Pages 096102-96105  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A recent theoretical study [ Phys. Rev. B 85 121411(R) (2012)] predicted a thickness limit below which ideal polar cuprates turn nonpolar driven by the associated electrostatic instability. Here we demonstrate this possibility by inducing a structural transformation from the bulk planar to chainlike structure upon reducing the SrCuO2 repeat thickness in SrCuO2/SrTiO3 superlattices with unit-cell precision. Our results, based on structural investigation by x-ray diffraction and high resolution scanning transmission electron microscopy, demonstrate that the oxygen sublattice can essentially be built by design. In addition, the electronic structure of the chainlike structure, as studied by x-ray absorption spectroscopy, shows the signature for preferential hole occupation in the Cu 3d3z2-r2 orbital, which is different from the planar case.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000323610800023 Publication Date 2013-08-27  
  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 29 Open Access  
  Notes This work was carried out with financial support from AFOSR and EOARD project (Project No. FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. This work was partially funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure No. 312483-ESTEEM2. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Y. T. acknowledges support from the National Science Foundation (DMR-0747896). W. S. was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. D. S. thanks Z. Zhong from Vienna University of Technology, Austria for scientific discussion. ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:109452UA @ admin @ c:irua:109452 Serial 1140  
Permanent link to this record
 
 
Author (down) Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. url  doi
openurl 
  Title Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 16 Pages 165409-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317195400007 Publication Date 2013-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 365 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108471 Serial 134  
Permanent link to this record
 
 
Author (down) Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 4 Pages 045434-45436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322113300007 Publication Date 2013-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 93 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109805 Serial 3162  
Permanent link to this record
 
 
Author (down) Sahin, H.; Peeters, F.M. url  doi
openurl 
  Title Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085423-85429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315146500008 Publication Date 2013-02-19  
  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 281 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107663 Serial 62  
Permanent link to this record
 
 
Author (down) Rouvière, J.-L.; Béché, A.; Martin, Y.; Denneulin, T.; Cooper, D. doi  openurl
  Title Improved strain precision with high spatial resolution using nanobeam precession electron diffraction Type A1 Journal article
  Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue Pages 241913  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract NanoBeam Electron Diffraction is a simple and efficient technique to measure strain in nanostructures. Here, we show that improved results can be obtained by precessing the electron beam while maintaining a few nanometer probe size, i.e., by doing Nanobeam Precession Electron Diffraction (N-PED). The precession of the beam makes the diffraction spots more uniform and numerous, making N-PED more robust and precise. In N-PED, smaller probe size and better precision are achieved by having diffraction disks instead of diffraction dots. Precision in the strain measurement better than 2 × 10−4 is obtained with a probe size approaching 1 nm in diameter.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000328706500031 Publication Date 2013-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 53 Open Access  
  Notes Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:136442 Serial 4502  
Permanent link to this record
 
 
Author (down) Rossell, M.D.; Abakumov, A.M.; Ramasse, Q.M.; Erni, R. doi  openurl
  Title Direct evidence of stacking disorder in the mixed ionic-electronic conductor Sr4Fe6O12+\delta Type A1 Journal article
  Year 2013 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 7 Issue 4 Pages 3078-3085  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Determining the structure-to-property relationship of materials becomes particularly challenging when the material under investigation is dominated by defects and structural disorder. Knowledge on the exact atomic arrangement at the defective structure is required to understand its influence on the functional properties. However, standard diffraction techniques deliver structural information that is averaged over many unit cells. In particular, information about defects and order-disorder phenomena is contained in the coherent diffuse scattering intensity which often is difficult to uniquely interpret. Thus, the examination of the local disorder in materials requires a direct method to study their structure on the atomic level with chemical sensitivity. Using aberration-corrected scanning transmission electron microscopy in combination with atomic-resolution electron energy-loss spectroscopy, we show that the controversial structural arrangement of the Fe2O2+delta layers in the mixed ionic-electronic conducting Sr4Fe6O12+delta perovskite can be unambiguously resolved. Our results provide direct experimental evidence for the presence of a nanomixture of “ordered” and “disordered” domains in an epitaxial Sr4Fe6O12+delta thin film. The most favorable arrangement is the disordered structure and is interpreted as a randomly occurring but well-defined local shift of the Fe-O chains in the Fe2O2+delta layers. By analyzing the electron energy-loss near-edge structure of the different building blocks in the Sr4Fe6O12+delta unit cell we find that the mobile holes in this mixed ionic-electronic conducting oxide are highly localized in the Fe2O2+delta layers, which are responsible for the oxide-ion conductivity. A possible link between disorder and oxygen-ion transport along the Fe2O2+delta layers is proposed by arguing that the disorder can effectively break the oxygen diffusion pathways.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318143300021 Publication Date 2013-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 4 Open Access  
  Notes Approved Most recent IF: 13.942; 2013 IF: 12.033  
  Call Number UA @ lucian @ c:irua:108476 Serial 713  
Permanent link to this record
Select All    Deselect All << 1 2 3 4 5 6 7 8 9 10 11 12 13 >>
List View
 | 
Citations
 | 
Details
   print
toggle visibility
Save Citations:
Export Records:
Home CQL Search  |  Library Search  |  Show Record  |  Extract Citations Help