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| Author | Kus, M.; Altantzis, T.; Vercauteren, S.; Caretti, I.; Leenaerts, O.; Batenburg, K.J.; Mertens, M.; Meynen, V.; Partoens, B.; Van Doorslaer, S.; Bals, S.; Cool, P. | ||||
| Title | Mechanistic Insight into the Photocatalytic Working of Fluorinated Anatase {001} Nanosheets | Type | A1 Journal article | ||
| Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal  |
J Phys Chem C |
| Volume | 121 | Issue | 121 | Pages | 26275-26286 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Anatase nanosheets with exposed {001} facets have gained increasing interest for photocatalytic applications. To fully understand the structure-to-activity relation, combined experimental and computational methods have been exploited. Anatase nanosheets were prepared under hydrothermal conditions in the presence of fluorine ions. High resolution scanning transmission electron microscopy was used to fully characterize the synthesized material, confirming the TiO2 nanosheet morphology. Moreover, the surface structure and composition of a single nanosheet could be determined by annular bright-field scanning transmission electron microscopy (ABF-STEM) and STEM electron energy loss spectroscopy (STEM-EELS). The photocatalytic activity was tested for the decomposition of organic dyes rhodamine 6G and methyl orange and compared to a reference TiO2 anatase sample. The anatase nanosheets with exposed {001} facets revealed a significantly lower photocatalytic activity compared to the reference. In order to understand the mechanism for the catalytic performance, and to investigate the role of the presence of F−, light-induced electron paramagnetic resonance (EPR) experiments were performed. The EPR results are in agreement with TEM, proving the presence of Ti3+ species close to the surface of the sample and allowing the analysis of the photoinduced formation of paramagnetic species. Further, ab initio calculations of the anisotropic effective mass of electrons and electron holes in anatase show a very high effective mass of electrons in the [001] direction, having a negative impact on the mobility of electrons toward the {001} surface and thus the photocatalysis. Finally, motivated by the experimental results that indicate the presence of fluorine atoms at the surface, we performed ab initio calculations to determine the position of the band edges in anatase slabs with different terminations of the {001} surface. The presence of fluorine atoms near the surface is shown to strongly shift down the band edges, which indicates another reason why it can be expected that the prepared samples with a large amount of {001} surface, but with fluorine atoms near the surface, show only a low photocatalytic activity. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000417228500017 | Publication Date | 2017-11-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | 20 | Open Access | OpenAccess |
| Notes | The authors acknowledge the University of Antwerp for financial support in the frame of a GOA project. S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.V.D. and V.M. acknowledge funding from the Fund for Scientific Research-Flanders (G.0687.13). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 4.536 | ||
| Call Number | EMAT @ emat @c:irua:147240UA @ admin @ c:irua:147240 | Serial | 4771 | ||
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| Author | Slachmuylders, A.; Partoens, B.; Magnus, W.; Peeters, F.M. | ||||
| Title | The effect of dielectric mismatch on excitons and trions in cylindrical semiconductor nanowires | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of computational electronics | Abbreviated Journal |
J Comput Electron |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | S.l. | Editor | ||
| Language | Wos | 000208473800066 | Publication Date | 2008-02-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1569-8025;1572-8137; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.526 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 1.526; 2008 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:69620 | Serial | 808 | ||
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| Author | Nikolaev, A.V.; Lamoen, D.; Partoens, B. | ||||
| Title | Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions | Type | A1 Journal article | ||
| Year | 2016 | Publication | The journal of chemical physics | Abbreviated Journal |
J Chem Phys |
| Volume | 145 | Issue | 145 | Pages | 014101 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | In order to increase the accuracy of the linearized augmented plane wave (LAPW) method, we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different linearization energies corresponding to two different electron bands (or energy windows). We demonstrate that this case can be reduced to the standard treatment within the LAPW paradigm where the usual basis set is enriched by the basis functions of the tight binding type, which go to zero with zero derivative at the sphere boundary. We show that the task is closely related with the problem of extended core states which is currently solved by applying the LAPW method with local orbitals (LAPW+LO). In comparison with LAPW+LO, the number of supplemented basis functions in our approach is doubled, which opens up a new channel for the extension of the LAPW and LAPW+LO basis sets. The appearance of new supplemented basis functions absent in the LAPW+LO treatment is closely related with the existence of the ul-component in the canonical LAPW method. We discuss properties of additional tight binding basis functions and apply the extended basis set for computation of electron energy bands of lanthanum (face and body centered structures) and hexagonal close packed lattice of cadmium. We demonstrate that the new treatment gives lower total energies in comparison with both canonical LAPW and LAPW+LO, with the energy difference more pronounced for intermediate and poor LAPW basis sets. | ||||
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| Language | Wos | 000379584700003 | Publication Date | 2016-07-05 | |
| 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 | 11 | Open Access | |
| Notes | A.V.N. acknowledges useful discussions with B. Verberck, E. V. Tkalya, and A. V. Bibikov. | Approved | Most recent IF: 2.965 | ||
| Call Number | c:irua:134290 | Serial | 4099 | ||
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| Author | Vos, W.; de Backer, J.; Devolder, A.; Vanderveken, O.; Verhulst, S.; Salgado, R.; Germonpré, P.; Partoens, B.; Wuyts, F.; Parizel, P.; de Backer, W. | ||||
| Title | Correlation between severity of sleep apnea and upper airway morphology based on advanced anatomical and functional imaging | Type | A1 Journal article | ||
| Year | 2007 | Publication | Journal of biomechanics | Abbreviated Journal |
J Biomech |
| Volume | 40 | Issue | 10 | Pages | 2207-2213 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) | ||||
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| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000248468000011 | Publication Date | 2006-12-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9290; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.664 | Times cited | 86 | Open Access | |
| Notes | Approved | Most recent IF: 2.664; 2007 IF: 2.897 | |||
| Call Number | UA @ lucian @ c:irua:62425 | Serial | 523 | ||
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| Author | Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Ab initio study of shallow acceptors in bixbyite V2O3 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 117 | Issue | 117 | Pages | 015703 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000347958600067 | Publication Date | 2015-01-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979;1089-7550; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 3 | Open Access | |
| Notes | FWO G015013; Hercules | Approved | Most recent IF: 2.068; 2015 IF: 2.183 | ||
| Call Number | c:irua:122728 | Serial | 35 | ||
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| Author | Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. | ||||
| Title | Artificial molecular quantum rings under magnetic field influence | Type | A1 Journal article | ||
| Year | 2009 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 106 | Issue | 7 | Pages | 073702,1-073702,8 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The ground states of a few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions combined with inter-ring tunneling affect the electronic structure and the persistent current. For small values of the external magnetic field, we recover the zero magnetic field molecular quantum ring ground state configurations. Increasing the magnetic field many angular momentum, spin, and isospin transitions are predicted to occur in the ground state. We show that these transitions follow certain rules, which are governed by the parity of the number of electrons, the single-particle picture, Hunds rules, and many-body effects. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000270915600047 | Publication Date | 2009-10-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 2.068; 2009 IF: 2.072 | |||
| Call Number | UA @ lucian @ c:irua:86926 | Serial | 155 | ||
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| Author | Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 117 | Issue | 117 | Pages | 015104 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000347958600055 | Publication Date | 2015-01-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979;1089-7550; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 6 | Open Access | |
| Notes | FWO G015013; Hercules | Approved | Most recent IF: 2.068; 2015 IF: 2.183 | ||
| Call Number | c:irua:122064 | Serial | 1215 | ||
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| Author | Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | Hydrogen impurities and native defects in CdO | Type | A1 Journal article | ||
| Year | 2011 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 110 | Issue | 6 | Pages | 063521,1-063521,7 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000295619300041 | Publication Date | 2011-09-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 13 | Open Access | |
| Notes | ; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; | Approved | Most recent IF: 2.068; 2011 IF: 2.168 | ||
| Call Number | UA @ lucian @ c:irua:93613 | Serial | 1533 | ||
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| Author | Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. | ||||
| Title | Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 118 | Issue | 118 | Pages | 104306 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We perform first-principles calculations to investigate the preferred positions of B and P dopants, both neutral and in their preferred charge state, in Si and Si/SiO2 core-shell nanowires (NWs). In order to understand the observed trends in the formation energy, we isolate the different effects that determine these formation energies. By making the distinction between the unrelaxed and the relaxed formation energy, we separate the impact of the relaxation from that of the chemical environment. The unrelaxed formation energies are determined by three effects: (i) the effect of strain caused by size mismatch between the dopant and the host atoms, (ii) the local position of the band edges, and (iii) a screening effect. In the case of the SiNW (Si/SiO2 NW), these effects result in an increase of the formation energy away from the center (interface). The effect of relaxation depends on the relative size mismatch between the dopant and host atoms. A large size mismatch causes substantial relaxation that reduces the formation energy considerably, with the relaxation being more pronounced towards the edge of the wires. These effects explain the surface segregation of the B dopants in a SiNW, since the atomic relaxation induces a continuous drop of the formation energy towards the edge. However, for the P dopants, the formation energy starts to rise when moving from the center but drops to a minimum just next to the surface, indicating a different type of behavior. It also explains that the preferential location for B dopants in Si/SiO2 core-shell NWs is inside the oxide shell just next to the interface, whereas the P dopants prefer the positions next to the interface inside the Si core, which is in agreement with recent experiments. These preferred locations have an important impact on the electronic properties of these core-shell NWs. Our simulations indicate the possibility of hole gas formation when B segregates into the oxide shell. | ||||
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| Language | Wos | 000361636900031 | Publication Date | 2015-09-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 3 | Open Access | |
| Notes | This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. | Approved | Most recent IF: 2.068; 2015 IF: 2.183 | ||
| Call Number | c:irua:128729 | Serial | 4056 | ||
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| Author | Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides | Type | A1 Journal article | ||
| Year | 2016 | Publication | Journal of applied physics | Abbreviated Journal |
J Appl Phys |
| Volume | 120 | Issue | 120 | Pages | 085707 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured cell efficiency. Using first-principles calculations based on density functional theory, the optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are then screened with the aim of identifying potential absorber materials for photovoltaic applications. The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage curve, the SLME is calculated from the maximum power output. The role of the nature of the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency compared with the materials currently used as absorber layer. |
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| Language | Wos | 000383913400074 | Publication Date | 2016-08-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 29 | Open Access | |
| Notes | We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. | Approved | Most recent IF: 2.068 | ||
| Call Number | c:irua:135089 | Serial | 4113 | ||
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| Author | Kong, M.; Ferreira, W.P.; Partoens, B.; Peeters, F.M. | ||||
| Title | Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster | Type | A1 Journal article | ||
| Year | 2004 | Publication | IEEE transactions on plasma science | Abbreviated Journal |
Ieee T Plasma Sci |
| Volume | 32 | Issue | 2,2 | Pages | 569-572 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000222278400007 | Publication Date | 2004-06-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0093-3813; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.052 | Times cited | 4 | Open Access | |
| Notes | Approved | Most recent IF: 1.052; 2004 IF: 1.042 | |||
| Call Number | UA @ lucian @ c:irua:62453 | Serial | 1871 | ||
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| Author | Reijniers, J.; Partoens, B.; Steckel, J.; Peremans, H. | ||||
| Title | HRTF measurement by means of unsupervised head movements with respect to a single fixed speaker | Type | A1 Journal article | ||
| Year | 2020 | Publication | Ieee Access | Abbreviated Journal |
Ieee Access |
| Volume | 8 | Issue | Pages | 92287-92300 | |
| Keywords | A1 Journal article; Mass communications; Engineering Management (ENM); Condensed Matter Theory (CMT); Co-Design of Cyber-Physical Systems (Cosys-Lab) | ||||
| Abstract | In a standard state-of-the-art measurement the head-related transfer function (HRTF) is obtained in an anechoic room with an elaborate setup involving multiple calibrated loudspeakers. In search for a simplified method that would open up the possibility for an HRTF measurement in a home environment, it has been suggested that this setup could be replaced with one with a single, fixed loudspeaker. In such a setup, the subject samples different directions by moving the head with respect to this loudspeaker, while the head movements are tracked in some way. In this paper, the feasibility of such an approach is studied. To this end, the HRTF is measured in an unmodified (non-anechoic) room by means of a single external speaker and a high resolution head tracking system. The differences between the dynamically obtained HRTF and the standard static HRTF are investigated, and are shown to be mostly due to variable torso reflections. | ||||
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| Language | Wos | 000539041600001 | Publication Date | 2020-05-15 | |
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| ISSN | 2169-3536 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.9 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported in part by the Research Foundation Flanders (FWO) under Grant G023619N, and in part by the Agency for Innovation and Entrepreneurship (VLAIO). ; | Approved | Most recent IF: 3.9; 2020 IF: 3.244 | ||
| Call Number | UA @ admin @ c:irua:170318 | Serial | 6539 | ||
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| Author | Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. | ||||
| Title | Adsorption and desorption in confined geometries : a discrete hopping model | Type | A1 Journal article | ||
| Year | 2014 | Publication | The European physical journal. Special topics | Abbreviated Journal |
Eur Phys J-Spec Top |
| Volume | 223 | Issue | 14 | Pages | 3243-3256 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length. | ||||
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| Language | Wos | 000346416400015 | Publication Date | 2014-12-15 | |
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| ISSN | 1951-6355;1951-6401; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.862 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; | Approved | Most recent IF: 1.862; 2014 IF: 1.399 | ||
| Call Number | UA @ lucian @ c:irua:122779 | Serial | 61 | ||
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| Author | Nelissen, K.; Partoens, B.; Peeters, F.M. | ||||
| Title | Dynamics of topological defects and the effects of the cooling rate on finite-size two-dimensional screened Coulomb clusters | Type | A1 Journal article | ||
| Year | 2007 | Publication | Europhysics letters | Abbreviated Journal |
Epl-Europhys Lett |
| Volume | 79 | Issue | 6 | Pages | 66001,1-5 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000250409500013 | Publication Date | 2007-08-08 | |
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| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 9 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ c:irua:66690 | Serial | 785 | ||
| Permanent link to this record | |||||
| Author | Nelissen, K.; Partoens, B.; Schweigert, I.; Peeters, F.M. | ||||
| Title | Induced order and re-entrant melting in classical two-dimensional binary clusters | Type | A1 Journal article | ||
| Year | 2006 | Publication | Europhysics letters | Abbreviated Journal |
Epl-Europhys Lett |
| Volume | 74 | Issue | 6 | Pages | 1046-1052 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000238029600017 | Publication Date | 2006-05-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 17 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2006 IF: 2.229 | |||
| Call Number | UA @ lucian @ c:irua:59453 | Serial | 1602 | ||
| Permanent link to this record | |||||
| Author | Partoens, B.; Peeters, F.M. | ||||
| Title | Magnetic field induced spin and isospin blockade in two vertically coupled quantum dots | Type | A1 Journal article | ||
| Year | 2001 | Publication | Europhysics letters | Abbreviated Journal |
Epl-Europhys Lett |
| Volume | 56 | Issue | Pages | 86-91 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000171459800014 | Publication Date | 2003-12-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 25 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2001 IF: 2.256 | |||
| Call Number | UA @ lucian @ c:irua:37306 | Serial | 1877 | ||
| Permanent link to this record | |||||
| Author | Van Boxem, R.; Verbeeck, J.; Partoens, B. | ||||
| Title | Spin effects in electron vortex states | Type | A1 Journal article | ||
| Year | 2013 | Publication | Europhysics letters | Abbreviated Journal |
Epl-Europhys Lett |
| Volume | 102 | Issue | 4 | Pages | 40010-40016 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | The recent experimental realization of electron vortex beams opens up a wide research domain previously unexplored. The present paper explores the relativistic properties of these electron vortex beams, and quantifies deviations from the scalar wave theory. It is common in electron optics to use the Schrodinger equation neglecting spin. The present paper investigates the role of spin and the total angular momentum J(z) and how it pertains to the vortex states. As an application, we also investigate if it is possible to use holographic reconstruction to create novel total angular momentum eigenstates in a transmission electron microscope. It is demonstrated that relativistic spin coupling effects disappear in the paraxial limit, and spin effects in holographically created electron vortex beams can only be exploited by using specialized magnetic apertures. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000321118600011 | Publication Date | 2013-06-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 11 | Open Access | |
| Notes | 312483 Esteem2; N246791 Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; | Approved | Most recent IF: 1.957; 2013 IF: 2.269 | ||
| Call Number | UA @ lucian @ c:irua:109852 | Serial | 3087 | ||
| Permanent link to this record | |||||
| Author | Nelissen, K.; Partoens, B.; van den Broeck, C. | ||||
| Title | Work and dissipation in 2D clusters | Type | A1 Journal article | ||
| Year | 2009 | Publication | Europhysics letters | Abbreviated Journal |
Epl-Europhys Lett |
| Volume | 88 | Issue | 3 | Pages | 30001-30001,6 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000271961400001 | Publication Date | 2009-11-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2009 IF: 2.893 | |||
| Call Number | UA @ lucian @ c:irua:86925 | Serial | 3922 | ||
| Permanent link to this record | |||||
| Author | Bercx, M.; Mayda, S.; Depla, D.; Partoens, B.; Lamoen, D. | ||||
| Title | Plasmonic effects in the neutralization of slow ions at a metallic surface | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Contributions to Plasma Physics | Abbreviated Journal |
Contrib. Plasma Phys |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001067651300001 | Publication Date | 2023-09-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0863-1042 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | We acknowledge the financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 1.6; 2023 IF: 1.44 | ||
| Call Number | EMAT @ emat @c:irua:200330 | Serial | 8962 | ||
| Permanent link to this record | |||||
| Author | Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | Accurate pseudopotential description of the GW bandstructure of ZnO | Type | A1 Journal article | ||
| Year | 2011 | Publication | Computer physics communications | Abbreviated Journal |
Comput Phys Commun |
| Volume | 182 | Issue | 9 | Pages | 2029-2031 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000292675100062 | Publication Date | 2011-02-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0010-4655; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.936 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.936; 2011 IF: 3.268 | ||
| Call Number | UA @ lucian @ c:irua:90761 | Serial | 51 | ||
| Permanent link to this record | |||||
| Author | Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. | ||||
| Title | The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes | Type | A1 Journal article | ||
| Year | 2017 | Publication | Chemical physics letters | Abbreviated Journal |
Chem Phys Lett |
| Volume | 687 | Issue | Pages | 188-193 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000412453700030 | Publication Date | 2017-09-06 | |
| 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 | 2 | Open Access | Not_Open_Access: Available from 01.11.2019 |
| Notes | ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; | Approved | Most recent IF: 1.815 | ||
| Call Number | UA @ lucian @ c:irua:146646 | Serial | 4795 | ||
| Permanent link to this record | |||||
| Author | De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. | ||||
| Title | Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries | Type | A1 Journal article | ||
| Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal |
Chem Mater |
| Volume | 30 | Issue | 23 | Pages | 8521-8527 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000453489300014 | Publication Date | 2018-11-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 7 | Open Access | |
| Notes | ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; | Approved | Most recent IF: 9.466 | ||
| Call Number | UA @ admin @ c:irua:156235 | Serial | 5227 | ||
| Permanent link to this record | |||||
| Author | Marchetti, A.; Saniz, R.; Krishnan, D.; Rabbachin, L.; Nuyts, G.; De Meyer, S.; Verbeeck, J.; Janssens, K.; Pelosi, C.; Lamoen, D.; Partoens, B.; De Wael, K. | ||||
| Title | Unraveling the Role of Lattice Substitutions on the Stabilization of the Intrinsically Unstable Pb2Sb2O7Pyrochlore: Explaining the Lightfastness of Lead Pyroantimonate Artists’ Pigments | Type | A1 Journal article | ||
| Year | 2020 | Publication | Chemistry Of Materials | Abbreviated Journal |
Chem Mater |
| Volume | 32 | Issue | 7 | Pages | 2863-2873 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | The pyroantimonate pigments Naples yellow and lead tin antimonate yellow are recognized as some of the most stable synthetic yellow pigments in the history of art. However, this exceptional lightfastness is in contrast with experimental evidence suggesting that this class of mixed oxides is of semiconducting nature. In this study the electronic structure and light-induced behavior of the lead pyroantimonate pigments were determined by means of a combined multifaceted analytical and computational approach (photoelectrochemical measurements, UV-vis diffuse reflectance spectroscopy, STEM-EDS, STEM-HAADF, and density functional theory calculations). The results demonstrate both the semiconducting nature and the lightfastness of these pigments. Poor optical absorption and minority carrier mobility are the main properties responsible for the observed stability. In addition, novel fundamental insights into the role played by Na atoms in the stabilization of the otherwise intrinsically unstable Pb2Sb2O7 pyrochlore were obtained. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000526394000016 | Publication Date | 2020-04-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | 8 | Open Access | OpenAccess |
| Notes | Universiteit Antwerpen; Belgian Federal Science Policy Office; | Approved | Most recent IF: 8.6; 2020 IF: 9.466 | ||
| Call Number | EMAT @ emat @c:irua:168819 | Serial | 6363 | ||
| Permanent link to this record | |||||
| Author | Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. | ||||
| Title | Two vertically coupled quantum rings with tunneling | Type | A1 Journal article | ||
| Year | 2006 | Publication | Brazilian journal of physics | Abbreviated Journal |
Braz J Phys |
| Volume | 36 | Issue | 3b | Pages | 936-939 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | São Paulo | Editor | ||
| Language | Wos | 000242535600036 | Publication Date | 2006-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0103-9733; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 0.732 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 0.732; 2006 IF: 0.494 | |||
| Call Number | UA @ lucian @ c:irua:62133 | Serial | 3788 | ||
| Permanent link to this record | |||||
| Author | Slachmuylders, A.F.; Partoens, B.; Peeters, F.M.; Magnus, W. | ||||
| Title | Effect of a metallic gate on the energy levels of a shallow donor | Type | A1 Journal article | ||
| Year | 2008 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 92 | Issue | 8 | Pages | 083104,1-3 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000254297300074 | Publication Date | 2008-02-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 14 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2008 IF: 3.726 | |||
| Call Number | UA @ lucian @ c:irua:69618 | Serial | 792 | ||
| Permanent link to this record | |||||
| Author | Leenaerts, O.; Partoens, B.; Peeters, F.M. | ||||
| Title | Graphene: a perfect nanoballoon | Type | A1 Journal article | ||
| Year | 2008 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 93 | Issue | 19 | Pages | 193107,1-193107,3 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not have a strong influence on the height of the energy barriers for penetration. For defective graphene layers, the penetration barriers decrease exponentially with the size of the defects but they are still sufficiently high that very large defects are needed to make the graphene sheet permeable for small atoms and molecules. This makes graphene a very promising material for the construction of nanocages and nanomembranes. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000260944100090 | Publication Date | 2008-11-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 295 | Open Access | |
| Notes | This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). | Approved | Most recent IF: 3.411; 2008 IF: 3.726 | ||
| Call Number | UA @ lucian @ c:irua:73196 | Serial | 1368 | ||
| Permanent link to this record | |||||
| Author | Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. | ||||
| Title | The interband optical absorption in silicon quantum wells : application of the 30-band k . p model | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 104 | Issue | 24 | Pages | 242103 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000337915000033 | Publication Date | 2014-06-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 1 | Open Access | |
| Notes | ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; | Approved | Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:118448 | Serial | 1689 | ||
| Permanent link to this record | |||||
| Author | Payette, C.; Partoens, B.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Amaha, S.; Tarucha, S. | ||||
| Title | Modeling single-particle energy levels and resonance currents in a coherent electronic quantum dot mixer | Type | A1 Journal article | ||
| Year | 2009 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 94 | Issue | 22 | Pages | 222101,1-22101,3 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We present model calculations based on a coherent tunneling picture, which reproduce well both the single-particle energy level position and the resonant current strength at two typical anticrossings, one involving two levels and the other three levels in a coherent mixer composed of two weakly coupled vertical quantum dots. An essential ingredient is the inclusion of higher degree terms to account for deviations from an ideal elliptical parabolic confining potential in realistic dots. We also calculate density plots of the mixed states for the modified potential. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000266674300024 | Publication Date | 2009-06-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2009 IF: 3.554 | |||
| Call Number | UA @ lucian @ c:irua:77380 | Serial | 2139 | ||
| Permanent link to this record | |||||
| Author | Leenaerts, O.; Partoens, B.; Peeters, F.M. | ||||
| Title | Paramagnetic adsorbates on graphene: a charge transfer analysis | Type | A1 Journal article | ||
| Year | 2008 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 92 | Issue | 24 | Pages | 243125,1-3 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 and graphene. The charge transfer between paramagnetic molecules and a graphene layer as calculated with ab initio methods can crucially depend on the size of the supercell used in the calculation. This has important consequences for adsorption studies involving paramagnetic molecules such as NO2 physisorbed on graphene or on carbon nanotubes. © 2008 American Institute of Physics. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000256934900099 | Publication Date | 2008-06-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 79 | Open Access | |
| Notes | This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). Discussions with C. Van Alsenoy are gratefully acknowledged. | Approved | Most recent IF: 3.411; 2008 IF: 3.726 | ||
| Call Number | UA @ lucian @ c:irua:69619 | Serial | 2552 | ||
| Permanent link to this record | |||||
| Author | Peelaers, H.; Partoens, B.; Peeters, F.M. | ||||
| Title | Phonons in Ge nanowires | Type | A1 Journal article | ||
| Year | 2009 | Publication | Applied physics letters | Abbreviated Journal |
Appl Phys Lett |
| Volume | 95 | Issue | 12 | Pages | 122110,1-122110,3 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The phonon spectra of thin freestanding, hydrogen passivated, Ge nanowires are calculated by ab initio techniques. The effect of confinement on the phonon modes as caused by the small diameters of the wires is investigated. Confinement causes a hardening of the optical modes and a softening of the longitudinal acoustic modes. The stability of the nanowires, undoped or doped with B or P atoms, is investigated using the obtained phonon spectra. All considered wires were stable, except for highly doped, very thin nanowires. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000270243800035 | Publication Date | 2009-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 12 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2009 IF: 3.554 | |||
| Call Number | UA @ lucian @ c:irua:79307 | Serial | 2606 | ||
| Permanent link to this record | |||||