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Author de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M.
  Title Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 116 Issue 7 Pages 4399-4407
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000301156500007 Publication Date 2012-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 44 Open Access
  Notes ; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; Approved Most recent IF: 4.536; 2012 IF: 4.814
  Call Number UA @ lucian @ c:irua:113045 Serial (down) 482
Permanent link to this record
 
 
Author Martens, T.; Bogaerts, A.; Brok, W.; van Dijk, J.
  Title Computer simulations of a dielectric barrier discharge used for analytical spectrometry Type A1 Journal article
  Year 2007 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
  Volume 388 Issue 8 Pages 1583-1594
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000248373300005 Publication Date 2007-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1618-2642;1618-2650; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.431 Times cited 28 Open Access
  Notes Approved Most recent IF: 3.431; 2007 IF: 2.867
  Call Number UA @ lucian @ c:irua:65036 Serial (down) 466
Permanent link to this record
 
 
Author Adamson, P.; Hadermann, J.; Smura, C.F.; Rutt, O.J.; Hyett, G.; Free, D.G.; Clarke, S.J.
  Title Competing magnetic structures and the evolution of copper ion/vacancy ordering with composition in the manganite oxide chalcogenides Sr2MnO2Cu1.5(S1-xSex)2 Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 24 Issue 14 Pages 2802-2816
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The series Sr2MnO2Cu1.5(S1-xSex)(2) (0 <= x <= 1) contains mixed-valent Mn ions (Mn2+/Mn3+) in MnO2 sheets which are separated by copper-deficient antifluorite-type Cu(2-delta)Ch(2) layers with delta similar to 0.5. The compounds crystallize in the structure type first described for Sr2Mn3Sb2O2 and are described in the I4/mmm space group at ambient temperatures. Below about 250 K, ordering between Cu+ ions and tetrahedral vacancies occurs which is long-range and close to complete in the sulfide-containing end member of the series Sr2MnO2Cu1.5S2 but which occurs over shorter length scales as the selenide content increases. The superstructure is an orthorhombic 2 root 2a x root 2a x c expansion in Ibam of the room temperature cell. For x > 0.3 there are no superstructure reflections evident in the X-ray or neutron diffraction patterns, and the I4/mmm description is valid for the average structure at all temperatures. However, in the pure selenide end member, Sr2MnO2Cu1.5Se2, diffuse scattering in electron diffractograms and modulation in high resolution lattice image profiles may arise from short-range Cu/vacancy order. All members of the series exhibit long-range magnetic order. In the sulfide-rich end member and in compounds with x < 0.1 in the formula Sr2MnO2Cu1.5(S1-xSex)(2), which show well developed superstructures due to long-range Cu/vacancy order, the magnetic structure has a (1/4 1/4 0) propagation vector in which ferromagnetic zigzag chains of Mn moments in the MnO2 sheets are coupled antiferromagnetically in an arrangement described as the CE-type magnetic structure and found in many mixed-valent perovskite and Ruddlesden-Popper type oxide manganites. In these cases the magnetic cell is an a x 2b x c expansion of the low temperature Ibam structural cell. For x >= 0.2 in the formula Sr2MnO2Cu1.5(S1-xSex)(2) the magnetic structure has a (0 0 0) propagation vector and is similar to the A-type structure, also commonly adopted by some perovskite-related manganites, in which the Mn moments in the MnO2 sheets are coupled ferromagnetically and long-range antiferromagnetic order results from antiferromagnetic coupling between planes. In the region of the transition between the two different structural and magnetic long-range ordering schemes (0.1 < x < 0.2) the two magnetic structures coexist in the same sample. The evolution of the competition between magnetic ordering schemes and the length scale of the structural order with composition in Sr2MnO2Cu1.5(S1-xSex)(2) suggest that the changes in magnetic and structural order are related consequences of the introduction of chemical disorder.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000306674200024 Publication Date 2012-06-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 11 Open Access
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2012 IF: 8.238
  Call Number UA @ lucian @ c:irua:100839 Serial (down) 435
Permanent link to this record
 
 
Author Hadermann, J.; Abakumov, A.M.; Van Rompaey, S.; Mankevich, A.S.; Korsakov, I.E.
  Title Comment on ALaMn2O6-y (A = K, Rb): novel ferromagnetic manganites exhibiting negative giant magnetoresistance Type Editorial
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 9 Pages 2000-2001
  Keywords Editorial; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000265781000036 Publication Date 2009-04-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 4 Open Access
  Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:77055 Serial (down) 411
Permanent link to this record
 
 
Author Neyts, E.C.; Bogaerts, A.
  Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
  Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
  Volume 132 Issue 2 Pages 1320-12
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000318294700010 Publication Date 2012-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.89 Times cited 27 Open Access
  Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
  Call Number UA @ lucian @ c:irua:104725 Serial (down) 404
Permanent link to this record
 
 
Author Wendelen, W.; Dzhurakhalov, A.A.; Peeters, F.M.; Bogaerts, A.
  Title Combined molecular dynamics: continuum study of phase transitions in bulk metals under ultrashort pulsed laser irradiation Type A1 Journal article
  Year 2010 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 114 Issue 12 Pages 5652-5660
  Keywords A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The phase transition processes induced by ultrashort, 100 fs pulsed laser irradiation of Au, Cu, and Ni are studied by means of a combined atomistic-continuum approach. A moderately low absorbed laser fluence range, from 200 to 600 J/m2 is considered to study phase transitions by means of a local and a nonlocal order parameter. At low laser fluences, the occurrence of layer-by-layer evaporation has been observed, which suggests a direct solid to vapor transition. The calculated amount of molten material remains very limited under the conditions studied, especially for Ni. Therefore, our results show that a kinetic equation that describes a direct solid to vapor transition might be the best approach to model laser-induced phase transitions by continuum models. Furthermore, the results provide more insight into the applicability of analytical superheating theories that were implemented in continuum models and help the understanding of nonequilibrium phase transitions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000275855600044 Publication Date 2010-01-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 2 Open Access
  Notes ; A.D. gratefully acknowledges Professor M. Hot (ULB, Brussels) for the basic MD-code that was modified further for the laser-induced melting processes. W.W, and A.D. are thankful to Professor L.V. Zhigilei for useful discussions and advices. The calculations were performed on the CALCUA computing facility of the University of Antwerp. This work was supported by the Belgian Science Policy (IAP). ; Approved Most recent IF: 4.536; 2010 IF: 4.524
  Call Number UA @ lucian @ c:irua:81391 Serial (down) 402
Permanent link to this record
 
 
Author Li, Y.; Yang, X.-Y.; Tian, G.; Vantomme, A.; Yu, J.; Van Tendeloo, G.; Su, B.-L.
  Title Chemistry of trimethyl aluminum: a spontaneous route to thermally stable 3D crystalline macroporous alumina foams with a hierarchy of pore sizes Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 22 Issue 10 Pages 3251-3258
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A simple and spontaneous one-pot self-formation procedure that is easy to scale up has been developed based on the chemistry of trimethylaluminum (TMA), leading to thermally stable macroporous crystalline alumina with a very unique and unprecedented three-dimensional (3D) hierarchical pore structure consisting of well-defined wormlike mesopores. TMA is the precursor of both product and porogene (viz, two working functions within the same molecule (2 in 1)). The materials obtained have been intensively characterized by powder X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), N2 adsorption−desorption, and mercury porosimetry. The open cagelike macrocavities are self-constructed by mesoporous nanorods (diameter of ca. 40−70 nm), which are themselves formed by a random assembly of fibrous nanoparticles 5−6 nm in size. Optical microscopy (OM) has been used in situ to follow the synthesis procedure, which led to the proposal of the formation mechanism. Methane molecules as porogens, which were instantaneously released because of the fast hydrolysis of the chemical precursor, were the key factor in producing these 3D structures with uniform co-continuous macropores that interconnected directly with the wormlike mesopores. The important characteristic of this procedure is the concurrent formation of a multiscaled porous network. The material exhibits great thermal stability. The hierarchically mesoporous−macroporous Al2O3 obtained is quite attractive for a myriad of applications, from catalysis to biomedicine. The present work illustrates that the one-pot self-formation concept, based on the chemistry of alkyl metals, is a versatile method to design industrially valuable hierarchically porous materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000277635000030 Publication Date 2010-04-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 38 Open Access
  Notes Approved Most recent IF: 9.466; 2010 IF: 6.400
  Call Number UA @ lucian @ c:irua:82760 Serial (down) 356
Permanent link to this record
 
 
Author Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A.
  Title Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 8 Pages 3890-3900
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000332188100004 Publication Date 2014-02-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 57 Open Access
  Notes Fwo Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:115571 Serial (down) 352
Permanent link to this record
 
 
Author Vernochet, C.; Vannier, R.-N.; Huvé, M.; Pirovano, C.; Nowogrocki, G.; Mairesse, G.; Van Tendeloo, G.
  Title Chemical, structural and electrical characterizations in the BIZNVOX family Type A1 Journal article
  Year 2000 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 10 Issue 12 Pages 2811-2817
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000165487800037 Publication Date 2002-07-26
  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 13 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:54757 Serial (down) 351
Permanent link to this record
 
 
Author Nikolaev, A.V.; Prassides, K.; Michel, K.H.
  Title Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides Type A1 Journal article
  Year 1998 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 108 Issue Pages 4912-4923
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000072588400025 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 14 Open Access
  Notes Approved Most recent IF: 2.965; 1998 IF: 3.147
  Call Number UA @ lucian @ c:irua:23985 Serial (down) 338
Permanent link to this record
 
 
Author Colomer, J.-F.; Benoit, J.-M.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Nagy, J.B.
  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 45 Open Access
  Notes Approved Most recent IF: 1.815; 2001 IF: 2.364
  Call Number UA @ lucian @ c:irua:54775 Serial (down) 332
Permanent link to this record
 
 
Author de Gryse, O.; Clauws, P.; Vanhellemont, J.; Lebedev, O.I.; van Landuyt, J.; Simoen, E.; Claeys, C.
  Title Characterization of oxide precipitates in heavily B-doped silicon by infrared spectroscopy Type A1 Journal article
  Year 2004 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
  Volume 151 Issue 9 Pages G598-G605
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Infrared absorption spectra of oxygen precipitates in boron-doped silicon with a boron concentration between 10(17) and 10(19) cm(-3) are analyzed, applying the spectral function representation of composite materials. The aspect ratio of the platelet precipitates is determined by transmission electron microscopy measurements. The analysis shows that in samples with moderate doping levels (<10(18) B cm(-3)) SiOγ precipitates are formed with the same composition as in the lightly doped case. In the heavily boron-doped (>10(18) cm(-3)) samples, however, the measured spectra of the precipitates are consistent with a mixture of SiO2 and B2O3, with a volume fraction of B2O3 as high as 0.41 in the most heavily doped case. (C) 2004 The Electrochemical Society.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000223622000072 Publication Date 2004-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-4651; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.259 Times cited 13 Open Access
  Notes Fwo; Iuap P5/01 Approved Most recent IF: 3.259; 2004 IF: 2.356
  Call Number UA @ lucian @ c:irua:103760 Serial (down) 330
Permanent link to this record
 
 
Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
  Title Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study Type A1 Journal article
  Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 133 Issue 43 Pages 17225-17231
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000297380900026 Publication Date 2011-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 116 Open Access
  Notes Approved Most recent IF: 13.858; 2011 IF: 9.907
  Call Number UA @ lucian @ c:irua:92043 Serial (down) 309
Permanent link to this record
 
 
Author Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V.
  Title Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 52 Issue 14 Pages 8272-8279
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000322087100052 Publication Date 2013-06-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 3 Open Access
  Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
  Call Number UA @ lucian @ c:irua:109214 Serial (down) 301
Permanent link to this record
 
 
Author Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J.
  Title Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells Type A1 Journal article
  Year 2011 Publication Chemical science Abbreviated Journal Chem Sci
  Volume 2 Issue 2 Pages 261-272
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge.
  Address
  Corporate Author Thesis
  Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
  Language Wos 000286327600010 Publication Date 2010-11-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-6520;2041-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.668 Times cited 16 Open Access
  Notes Approved Most recent IF: 8.668; 2011 IF: 7.525
  Call Number UA @ lucian @ c:irua:88652 Serial (down) 300
Permanent link to this record
 
 
Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B.
  Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type A1 Journal article
  Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 132 Issue Pages 113-122
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1997XY68900015 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 2 Open Access
  Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
  Call Number UA @ lucian @ c:irua:21448 Serial (down) 299
Permanent link to this record
 
 
Author Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J.
  Title Cation ordering and flexibility of the BO42- tetrahedra in incommensurately modulated CaEu2(BO4)4 (B = Mo, W) scheelites Type A1 Journal article
  Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 53 Issue 17 Pages 9407-9415
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b*, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a* + 0.82068(9)b*, q(2) = -0.82068(9)a* + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000341229600068 Publication Date 2014-08-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 48 Open Access
  Notes Fwo G039211n Approved Most recent IF: 4.857; 2014 IF: 4.762
  Call Number UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292 Serial (down) 297
Permanent link to this record
 
 
Author Marikutsa, A.; Krivetskiy, V.; Yashina, L.; Rumyantseva, M.; Konstantinova, E.; Ponzoni, A.; Comini, E.; Abakumov, A.; Gaskov, A.
  Title Catalytic impact of RuOx clusters to high ammonia sensitivity of tin dioxide Type A1 Journal article
  Year 2012 Publication Sensors and actuators : B : chemical T2 – 25th Eurosensors Conference, SEP 04-07, 2011, Athens, GREECE Abbreviated Journal Sensor Actuat B-Chem
  Volume 175 Issue Pages 186-193
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A comparative study of NH3-sensing performance of blank and modified nanocrystal line SnO2 was performed. Tin dioxide modified by ruthenium displayed the highest ammonia sensitivity with a maximum signal at 200 degrees C. The modifier was shown by XPS and EPR to occur in a mixed valence state of oxidized ruthenium distributed between the surface and bulk of tin dioxide nanocrystals. RuOx clustering on SnO2 surface was detected by means of electron microscopy assisted EDX-mapping. The effect of RuOx on tin dioxide interaction with ammonia was studied by temperature-programmed NH3 desorption, simultaneous Kelvin probe and DC-resistance measurements, EPR spectroscopy and analyses of the gas-solid interaction products. The modifier was shown to promote the materials reactivity to NH3 due to the catalytic activity of RuOx. The interaction with ammonia resulted in dipoles formation on the oxide surface along with reducing the grains net surface charge, established from the electron affinity increase and resistance decrease during NH3 exposure. The RuOx-catalyzed gas-solid interaction was deduced to proceed deeper than in the case of non-modified SnO2 and to yield nitrogen oxides (e.g. NO2), as was suggested by the oxidative character of gaseous products of NH3 interaction with RuOx-modified tin dioxide at 200 degrees C. (C) 2012 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000312358700033 Publication Date 2012-06-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited 20 Open Access
  Notes Approved Most recent IF: 5.401; 2012 IF: 3.535
  Call Number UA @ lucian @ c:irua:105985 Serial (down) 293
Permanent link to this record
 
 
Author Villani, K.; Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Martens, J.A.
  Title Catalytic carbon oxidation over ruthenium-based catalysts Type A1 Journal article
  Year 2006 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 45 Issue 19 Pages 3106-3109
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000237533400016 Publication Date 2006-03-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851;1521-3773; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 36 Open Access
  Notes Approved Most recent IF: 11.994; 2006 IF: 10.232
  Call Number UA @ lucian @ c:irua:59449 Serial (down) 291
Permanent link to this record
 
 
Author Aerts, R.; Somers, W.; Bogaerts, A.
  Title Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study Type A1 Journal article
  Year 2015 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume 8 Issue 8 Pages 702-716
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000349954400019 Publication Date 2015-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 131 Open Access
  Notes Approved Most recent IF: 7.226; 2015 IF: 7.657
  Call Number c:irua:123930 Serial (down) 279
Permanent link to this record
 
 
Author Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T.
  Title Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? Type A1 Journal article
  Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 50 Pages 24839-24848
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000297947700050 Publication Date 2011-11-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 36 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:94303 Serial (down) 273
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Author Colomer, J.-F.; Henrard, L.; Launois, P.; Van Tendeloo, G.; Lucas, A.A.; Lambin, P.
  Title Bundles of identical double-walled carbon nanotubes Type A1 Journal article
  Year 2004 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume Issue 22 Pages 2592-2593
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000225375100035 Publication Date 2004-09-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 13 Open Access
  Notes Approved Most recent IF: 6.319; 2004 IF: 3.997
  Call Number UA @ lucian @ c:irua:54875 Serial (down) 263
Permanent link to this record
 
 
Author Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G.
  Title Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst Type A1 Journal article
  Year 2002 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 366 Issue 5/6 Pages 555-560
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000179484300017 Publication Date 2002-12-03
  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 41 Open Access
  Notes Approved Most recent IF: 1.815; 2002 IF: 2.526
  Call Number UA @ lucian @ c:irua:54776 Serial (down) 262
Permanent link to this record
 
 
Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M.
  Title Boron nitride mono layer : a strain-tunable nanosensor Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 117 Issue 25 Pages 13261-13267
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000321236400041 Publication Date 2013-06-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 38 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; Approved Most recent IF: 4.536; 2013 IF: 4.835
  Call Number UA @ lucian @ c:irua:109829 Serial (down) 249
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Author Neyts, E.; Shibuta, Y.; Bogaerts, A.
  Title Bond switching regimes in nickel and nickel-carbon nanoclusters Type A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 488 Issue 4/6 Pages 202-205
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000275751900020 Publication Date 2010-02-15
  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 20 Open Access
  Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
  Call Number UA @ lucian @ c:irua:80998 Serial (down) 248
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Author Li, Y.; Zhang, X.; Geise, H.J.; Van Tendeloo, G.
  Title Behavior of Ni-doped MgMoO4 single-phase catalysts for synthesis of multiwalled carbon nanotube bundles Type A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 13 Issue 1 Pages 30-36
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000244062200005 Publication Date 2007-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.333 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.333; 2007 IF: 1.936
  Call Number UA @ lucian @ c:irua:63787 Serial (down) 225
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Author Barnabé, A.; Millange, F.; Maignan, A.; Hervieu, M.; Raveau, B.; Van Tendeloo, G.; Laffez, P.
  Title Barium-based manganites Ln1-xBaxMnO3 with Ln = {Pr, La}: phase transitions and magnetoresistance properties Type A1 Journal article
  Year 1998 Publication Chem. mater. Abbreviated Journal Chem Mater
  Volume 10 Issue Pages 252-259
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000071624400037 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 48 Open Access
  Notes Approved Most recent IF: 9.466; 1998 IF: 3.359
  Call Number UA @ lucian @ c:irua:25689 Serial (down) 220
Permanent link to this record
 
 
Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Greenblatt, M.
  Title B-site ordered perovskite LaSrMnNbO6 : synthesis, structure and antiferromagnetism Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 183 Issue 11 Pages 2689-2694
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract LaSrMnNbO6 has been synthesized by high temperature solid state reaction under 1% H2/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn2+ and Nb5+ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazers tilt system a−b−c+. Upon heating, LaSrMnNbO6 decomposes at 690 °C under O2 flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at TN=8 K; the experimentally observed effective paramagnetic moment, μeff=5.76 μB for high spin Mn2+ (3d5, S=5/2) is in good agreement with the calculated value (μcalcd=5.92 μB).
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000284179800028 Publication Date 2010-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 13 Open Access
  Notes Esteem 026019 Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:85805 Serial (down) 212
Permanent link to this record
 
 
Author Gregory, C.L.; Nullens, H.A.; Gijbels, R.H.; van Espen, P.J.; Geuens, I.; de Keyzer, R.
  Title Automated particle analysis of populations of silver halide microcrystals by electron probe microanalysis under cryogenic conditions Type A1 Journal article
  Year 1998 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 70 Issue Pages 2551-2559
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Chemometrics (Mitac 3)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000074584700047 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 12 Open Access
  Notes Approved Most recent IF: 6.32; 1998 IF: 4.580
  Call Number UA @ lucian @ c:irua:21308 Serial (down) 210
Permanent link to this record
 
 
Author Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A.
  Title Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 22 Issue 23 Pages 6393-6401
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000284975100025 Publication Date 2010-11-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 194 Open Access
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400
  Call Number UA @ lucian @ c:irua:95530 Serial (down) 208
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