|   | 
Details
   web
Records
Author Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G.
Title New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base Type A1 Journal article
Year 2011 Publication Journal of fluorine chemistry Abbreviated Journal J Fluorine Chem
Volume 132 Issue 12 Pages 1110-1116
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000296936300011 Publication Date 2011-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-1139; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.101 Times cited 2 Open Access
Notes Approved Most recent IF: 2.101; 2011 IF: 2.033
Call Number UA @ lucian @ c:irua:93687 Serial 2305
Permanent link to this record
 

 
Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P.
Title Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng
Volume Issue Pages 1-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000859840100001 Publication Date 2022-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.1
Call Number UA @ admin @ c:irua:189284 Serial 7160
Permanent link to this record
 

 
Author Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G.
Title Formation of carbon nitride nanospheres by ion implantation Type A1 Journal article
Year 2007 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 103 Issue 2-3 Pages 290-294
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000247715300016 Publication Date 2007-02-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 1 Open Access
Notes Approved Most recent IF: 2.084; 2007 IF: 1.871
Call Number UA @ lucian @ c:irua:102670 Serial 1258
Permanent link to this record
 

 
Author Navío, C.; Vallejos, S.; Stoycheva, T.; Llobet, E.; Correig, X.; Snyders, R.; Blackman, C.; Umek, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.;
Title Gold clusters on WO3 nanoneedles grown via AACVD : XPS and TEM studies Type A1 Journal article
Year 2012 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 134 Issue 2/3 Pages 809-813
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have prepared tungsten oxide films decorated with gold particles on Si substrates by aerosol assisted chemical vapor deposition (AACVD) and characterized them using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). SEM shows that the films are composed of needle-like structures and TEM shows that both the needles and the gold particles are crystalline. XPS indicates the presence of oxygen vacancies, i.e. the films are WO3−x, and hence the deposited material is composed of semiconducting nanostructures and that the interaction between the gold particles and the WO3 needles surface is weak. The synthesis of semiconducting tungsten oxide nanostructures decorated with metal particles represents an important step towards the development of sensing devices with optimal properties.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000305918200038 Publication Date 2012-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 52 Open Access
Notes Iap Approved Most recent IF: 2.084; 2012 IF: 2.072
Call Number UA @ lucian @ c:irua:97705 Serial 1356
Permanent link to this record
 

 
Author Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S.
Title Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM Type A1 Journal article
Year 2010 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 122 Issue 2/3 Pages 623-629
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000278637900054 Publication Date 2010-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 15 Open Access
Notes Esteem 026019 Approved Most recent IF: 2.084; 2010 IF: 2.356
Call Number UA @ lucian @ c:irua:83099 Serial 2699
Permanent link to this record
 

 
Author Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H.
Title Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity Type A1 Journal article
Year 2017 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 186 Issue 186 Pages 353-364
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000390621200044 Publication Date 2016-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 17 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.084
Call Number UA @ lucian @ c:irua:140333 Serial 4465
Permanent link to this record
 

 
Author De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K.
Title Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films Type A1 Journal article
Year 2016 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 174 Issue Pages 28-40
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000373865700005 Publication Date 2016-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 4 Open Access
Notes Approved Most recent IF: 2.084
Call Number UA @ lucian @ c:irua:144729 Serial 4659
Permanent link to this record
 

 
Author Aichele, T.; Robin, I.-C.; Bougerol, C.; André, R.; Tatarenko, S.; Van Tendeloo, G.
Title CdSe quantum dot formation induced by amorphous Se Type A1 Journal article
Year 2007 Publication Surface science : a journal devoted to the physics and chemistry of interfaces T2 – International Conference on NANO-Structures Self Assembling, JUL 02-06, 2006, Aix en Provence, FRANCE Abbreviated Journal Surf Sci
Volume 601 Issue 13 Pages 2664-2666
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The mechanism allowing the transition from a two-dimensional strained layer of CdSe on ZnSe to self-assembled islands induced by the use of amorphous selenium is still not fully understood. For a better understanding, atomic force microscopy and transmission electron microscopy studies were performed on CdSe films with a thickness close to that for quantum dot formation. Below this thickness, the sample surface results in undulations along the [110] crystal direction, while few quantum dots are situated in the wave valleys. Plan view transmission electron microscopy studies reveal a strong anisotropy of the islands and show that the Se desorption conditions are crucial. (C) 2006 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000248030100027 Publication Date 2006-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 2.062 Times cited Open Access
Notes Approved Most recent IF: 2.062; 2007 IF: 1.855
Call Number UA @ lucian @ c:irua:102668 Serial 304
Permanent link to this record
 

 
Author Bittencourt, C.; Felten, A.; Douhard, B.; Colomer, J.-F.; Van Tendeloo, G.; Drube, W.; Ghijsen, J.; Pireaux, J.-J.
Title Metallic nanoparticles on plasma treated carbon nanotubes : $Nano2hybrids$ Type A1 Journal article
Year 2007 Publication Surface science : a journal devoted to the physics and chemistry of interfaces T2 – International Conference on NANO-Structures Self Assembling, JUL 02-06, 2006, Aix en Provence, FRANCE Abbreviated Journal Surf Sci
Volume 601 Issue 13 Pages 2800-2804
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Multi-wall carbon nanotubes (MWCNTs) were decorated with metal clusters by thermal evaporation. Transmission electron microscopy (TEM) shows that the nature and extent of metal coverage can be varied by plasma treating the MWCNT surface. The metal clusters on oxygen plasma treated arc-discharge MWCNTs have a more dense distribution than the clusters evaporated on as-synthesized are-discharge MWCNTs. In contrast, the plasma treatment did not affect the cluster distribution on CVD MWCNTs. Analyses of the valence band and the core levels by X-ray photoelectron spectroscopy suggest poor charge transfer between gold clusters and MWCNTs; on the contrary suggest good charge transfer between Ni clusters and MWCNTs. (c) 2007 Elsevier B. V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000248030100055 Publication Date 2006-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.062 Times cited 44 Open Access
Notes Pai-V 1 Approved Most recent IF: 2.062; 2007 IF: 1.855
Call Number UA @ lucian @ c:irua:102663 Serial 2011
Permanent link to this record
 

 
Author Nematollahi, P.; Esrafili, M.D.; Neyts, E.C.
Title The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules Type A1 Journal article
Year 2018 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 672-673 Issue 672-673 Pages 39-46
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000432614700007 Publication Date 2018-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.062 Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: 2.062
Call Number UA @ lucian @ c:irua:151478 Serial 5044
Permanent link to this record
 

 
Author Gillie, L.J.; Palmer, H.M.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C.
Title Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure Type A1 Journal article
Year 2004 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 65 Issue Pages 87-93
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000188127400014 Publication Date 2003-10-16
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 (down) 2.059 Times cited 15 Open Access
Notes Approved Most recent IF: 2.059; 2004 IF: 0.988
Call Number UA @ lucian @ c:irua:43875 Serial 585
Permanent link to this record
 

 
Author Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J.
Title Electron microscopy of carbon nanotubes and related structures Type A1 Journal article
Year 1997 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 58 Issue 11 Pages 1807-1813
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000071510100029 Publication Date 2003-04-05
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 (down) 2.059 Times cited 12 Open Access
Notes Approved Most recent IF: 2.059; 1997 IF: 1.083
Call Number UA @ lucian @ c:irua:21425 Serial 959
Permanent link to this record
 

 
Author Bussmann-Holder, A.; Dalal, N.; Michel, K.H.
Title Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems Type A1 Journal article
Year 2000 Publication The journal of physics and chemistry of solids T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA Abbreviated Journal J Phys Chem Solids
Volume 61 Issue 2 Pages 271-274
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
Language Wos 000084147000020 Publication Date 2002-07-25
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 (down) 2.059 Times cited 8 Open Access
Notes Approved Most recent IF: 2.059; 2000 IF: 1.003
Call Number UA @ lucian @ c:irua:103469 Serial 2660
Permanent link to this record
 

 
Author Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B.
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 (down) 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 Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D.
Title First-principles study of CO and OH adsorption on in-doped ZnO surfaces Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 132 Issue Pages 172-181
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to

the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of

the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy

of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher

bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting

in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic

and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic

response upon adsorption of CO.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472124700023 Publication Date 2019-04-25
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 (down) 2.059 Times cited 7 Open Access Not_Open_Access: Available from 26.04.2021
Notes FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; Approved Most recent IF: 2.059
Call Number EMAT @ emat @UA @ admin @ c:irua:159656 Serial 5170
Permanent link to this record
 

 
Author De Beule, C.; Saniz, R.; Partoens, B.
Title Crystalline topological states at a topological insulator junction Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 128 Issue 128 Pages 144-151
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Chern number. We show that such an interface supports gapless modes that are protected by mirror symmetry. The interface states are investigated with a continuum model for the Bi2Se3 class of topological insulators that takes into account terms up to third order in the crystal momentum, which ensures that the model has the correct symmetry. The model parameters are obtained from ab initio calculations. Finally, we consider the effect of rotational mismatch at the interface, which breaks the mirror symmetry and opens a gap in the interface spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472693100013 Publication Date 2018-01-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 2.059 Times cited Open Access
Notes ; ; Approved Most recent IF: 2.059
Call Number UA @ admin @ c:irua:161391 Serial 5385
Permanent link to this record
 

 
Author Cui, W.; Hu, Z.-Y.; Unocic, R.R.; Van Tendeloo, G.; Sang, X.
Title Atomic defects, functional groups and properties in MXenes Type A1 Journal article
Year 2021 Publication Chinese Chemical Letters Abbreviated Journal Chinese Chem Lett
Volume 32 Issue 1 Pages 339-344
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract MXenes, a new family of functional two-dimensional (2D) materials, have shown great potential for an extensive variety of applications within the last decade. Atomic defects and functional groups in MXenes are known to have a tremendous influence on the functional properties. In this review, we focus on recent progress in the characterization of atomic defects and functional group chemistry in MXenes, and how to control them to directly influence various properties (e.g., electron transport, Li' adsorption, hydrogen evolution reaction (HER) activity, and magnetism) of 2D MXenes materials. Dynamic structural transformations such as oxidation and growth induced by atomic defects in MXenes are also discussed. The review thus provides perspectives on property optimization through atomic defect engineering, and bottom-up synthesis methods based on defect-assisted homoepitaxial growth of MXenes. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000618541800057 Publication Date 2020-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1001-8417 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.932 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.932
Call Number UA @ admin @ c:irua:177568 Serial 6777
Permanent link to this record
 

 
Author Tso, H.C.; Vasilopoulos, P.; Peeters, F.M.
Title Coupled electron-hole transport: generalized random-phase approximation and density functional theory Type A1 Journal article
Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 305 Issue Pages 400-404
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994ND67400076 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 5 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:9380 Serial 535
Permanent link to this record
 

 
Author Leadley, D.R.; Nicholas, R.J.; Singleton, J.; Xu, W.; Peeters, F.M.; Devreese, J.T.; van Bockstal, L.; Herlach, F.; Perenboom, J.A.A.J.; Harris, J.J.; Foxon, C.T.
Title Disappearance of magnetophonon resonance at high magnetic fields in GaAs-GaAlAs heterojunctions Type A1 Journal article
Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 305 Issue Pages 327-331
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994ND67400061 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 1 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:9280 Serial 728
Permanent link to this record
 

 
Author Ibrahim, I.S.; Peeters, F.M.
Title Electrons in a periodic magnetic field Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 341-344
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300083 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 3 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15815 Serial 1020
Permanent link to this record
 

 
Author Zhang, X.B.; Vasiliev, A.L.; Van Tendeloo, G.; He, Y.; Yu, L.-M.; Thiry, P.A.
Title EM, XPS and LEED study of deposition of Ag on hydrogenated Si substrate prepared by wet chemical treatments Type A1 Journal article
Year 1995 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 340 Issue Pages 317-327
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1995TA17600013 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 11 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:13319 Serial 1032
Permanent link to this record
 

 
Author Helm, M.; Peeters, F.M.; de Rosa, F.; Colas, E.; Harbison, J.P.; Florez, L.T.
Title Infrared-spectroscopy of subbands, minibands, and donors in GaAs/AlGaAs superlattices Type A1 Journal article
Year 1992 Publication Surface science : a journal devoted to the physics and chemistry of interfaces T2 – 9TH INTERNATIONAL CONF ON THE ELECTRONIC PROPERTIES OF TWO-DIMENSIONAL, SYSTEMS ( EP2DS-9 ) / 5TH INTERNATIONAL CONF ON MODULATED SEMICONDUCTOR, STRUCTURES ( MSS-5 ), JUL Abbreviated Journal Surf Sci
Volume 263 Issue 1-3 Pages 518-526
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A far-infrared absorption study of electrons in lightly-doped GaAs/Al0.3Ga0.7As superlattices is presented. Both weakly and strongly coupled superlattices are investigated, and the difference between intersubband transitions and transitions between extended minibands is demonstrated. At low temperatures, the absorption spectra are dominated by donor transitions. The 1s-2p(z) transition, which is intimately related to the intersubband transition, is observed. All experimental data are compared to an envelope function calculation for the miniband structure and a variational calculation for the donor energies. Excellent agreement between experiment and theory is achieved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1992HF18600104 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 5 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:103055 Serial 1665
Permanent link to this record
 

 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; Amelinckx, S.; de Keyzer, R.
Title Long period surface ordering of iodine ions in mixed tabular AgBr-AgBrI microcrystals Type A1 Journal article
Year 1995 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 337 Issue Pages 153-165
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1995RQ74900024 Publication Date 2003-05-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 10 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:13162 Serial 1836
Permanent link to this record
 

 
Author Blom, F.A.P.; Peeters, F.M.; van de Zanden, K.; van Hove, M.
Title Magneto-oscillations of the gate current in a laterally modulated two-dimensional electron gas Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 851-854
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300202 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 1 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15812 Serial 1905
Permanent link to this record
 

 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Resonant bound bipolarons in a superlattice in a high magnetic field Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 397-400
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300096 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 1.925 Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:15816 Serial 2884
Permanent link to this record
 

 
Author Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; McDonnell, P.; Henini, M.; Sakai, J.W.; Main, P.C.
Title Resonant tunneling through D- states Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 247-250
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300061 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028 ISBN Additional Links UA library record; WoS full record;
Impact Factor (down) 1.925 Times cited Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:15813 Serial 2894
Permanent link to this record
 

 
Author Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; McDonnell, P.; Henini, M.; Sakai, J.W.; Main, P.C.;
Title Resonant tunnelling through D- states Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces T2 – 11th International Conference on the Electronic Properties of 2-Dimensional Systems (EP2DS XI), August 07-11, 1995, Univ. Nottingham, Nottingham, England Abbreviated Journal Surf Sci
Volume 362 Issue 1-3 Pages 247-250
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have studied tunnelling through Si donors incorporated in the quantum well of double barrier resonant tunnelling devices. In addition to a resonance associated with the ground state of a single donor (1s level), a novel donor-related resonance at a smaller binding energy is observed in high magnetic fields where it becomes dominant over the Is resonance. We attribute this novel feature to a D-minus state of a shallow donor.
Address
Corporate Author Thesis
Publisher Elsevier Place of Publication Amsterdam Editor
Language Wos A1996UZ03300061 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 1.925 Times cited Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:95892 Serial 2895
Permanent link to this record
 

 
Author Goldoni, G.; Schweigert, V.; Peeters, F.M.
Title Stability and dynamical properties of a double-layer Wigner crystal in two dimensions Type A1 Journal article
Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 361/362 Issue Pages 163-166
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UZ03300041 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 4 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:15814 Serial 3118
Permanent link to this record
 

 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title Transition energies of D- centers in a superlattice Type A1 Journal article
Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 305 Issue Pages 220-224
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994ND67400039 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 6 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9272 Serial 3698
Permanent link to this record
 

 
Author Matulis, A.; Peeters, F.M.; Vasilopoulos, P.
Title Two-dimensional tunneling through magnetic barriers Type A1 Journal article
Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
Volume 305 Issue Pages 434-437
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994ND67400082 Publication Date 2002-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.925 Times cited 2 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9379 Serial 3778
Permanent link to this record