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Author Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Phase-diagram for the magnetic states of the Mn-ion subsystem in a magnetic quantum dot Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal  
  Volume Issue Pages (down) 012032-12034  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The interplay between two types of spin-spin exchange interaction (namely of the electron with the Mn-ions and the Mn-ions with each other) that are governed by the positions of the Mn-ions and the magnetic field is studied in the case of a Mn-ion doped CdTe quantum dot. We investigate the formation of different magnetic phases and the existence of frustrated magnetic states due to the dominant contribution of the Mn-Mn energy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000294907400032 Publication Date 2010-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 245 Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:113081 Serial 2582  
Permanent link to this record
 

 
Author Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+ Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal  
  Volume Issue Pages (down) 012031-12034  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000294907400031 Publication Date 2010-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 245 Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:113080 Serial 3572  
Permanent link to this record
 

 
Author Li, B.; Magnus, W.; Peeters, F.M. url  doi
openurl 
  Title Tunable exciton Aharonov-Bohm effect in a quantum ring Type A1 Journal article
  Year 2010 Publication Journal of physics : conference series T2 – Proceedings of the 11th International Conference on Optics of Excitons in Confined Systems, September 7-11, 2009, Spain / Vina, L. [edit.]; et al. [edit.] Abbreviated Journal  
  Volume 210 Issue 1 Pages (down) 012030,1-01203,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We studied the optical Aharonov-Bohm effect for an exciton in a semiconductor quantum ring. A perpendicular electric field applied to a quantum ring with large height, is able to tune the exciton ground state energy such that it exhibits a weak observable Aharonov-Bohm oscillations. This Aharonov-Bohm effect is tunable in strength and period.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000289715800242 Publication Date 2010-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:89950 Serial 3741  
Permanent link to this record
 

 
Author Müller, K.; Schowalter, M.; Rosenauer, A.; Jansen, J.; Tsuda, K.; Titantah, J.T.; Lamoen, D. url  doi
openurl 
  Title Refinement of chemically sensitive structure factors using parallel and convergent beam electron nanodiffraction Type A1 Journal article
  Year 2010 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 209 Issue 1 Pages (down) 012025-012025,4  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We introduce a new method to measure structure factors from parallel beam electron diffraction (PBED) patterns. Bloch wave refinement routines were developed which can minimise the difference between simulated and experimental Bragg intensities via variation of structure factors, Debye parameters, specimen thickness and -orientation. Due to plane wave illumination, the PBED refinement is highly efficient not only in computational respect, but also concerning the experimental effort since energy filtering is shown to have no significant effect on the refinement results. The PBED method was applied to simulated GaAs diffraction patterns to derive systematic errors and rules for the identification of plausible refinement results. The evaluation of experimental GaAs PBED patterns yields a 200 X-ray structure factor of -6.33±0.14. Additionally, we obtained -6.35±0.13 from two-dimensional convergent beam electron diffraction refinements. Both results confirm density functional theory calculations published by Rosenauer et al. and indicate the inaccuracy of isolated atom scattering data, which is crucial e.g. for the composition evaluation by lattice fringe analysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos Publication Date 2010-02-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:85761 Serial 2855  
Permanent link to this record
 

 
Author Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. url  doi
openurl 
  Title Modeling of a dielectric barrier discharge used as a flowing chemical reactor Type A1 Journal article
  Year 2008 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 133 Issue Pages (down) 012023,1-012023,8  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Our aim is to develop and optimize a model for a dielectric barrier discharge used as a chemical reactor for gas treatment. In order to determine the optimum operating conditions, we have studied the influence of the gas flow rate, reactor geometry and applied voltage parameters on the discharge characteristics. For this purpose, a two-dimensional time-dependent fluid model has been applied to an atmospheric pressure DBD in helium with nitrogen impurities, in a cylindrical geometry. The numerical model is based on the continuity and flux equations for each type of particles treated, the electron energy equation and the Poisson equation. The gas flow is incorporated in the flux equations as a source term. The set of coupled partial differential equations is solved by the so-called modified strongly implicit method. The background gas flow is numerically treated separately, assuming in the model that there is no influence of the plasma on the flow. Indeed, the gas convection velocity is calculated using the commercial code Fluent and it is used as input into the 2D fluid model. The plasma characteristics have been studied in terms of gas flow rate, applied voltage amplitude and frequency, and geometrical effects. The electric currents as a function of time for a given applied potential have been obtained, as well as the number densities and fluxes of plasma species.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000265684100023 Publication Date 2008-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 6 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:71282 Serial 2115  
Permanent link to this record
 

 
Author Mao, M.; Bogaerts, A. url  doi
openurl 
  Title Plasma chemistry modeling for an inductively coupled plasma used for the growth of carbon nanotubes Type A1 Journal article
  Year 2011 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 275 Issue 1 Pages (down) 012021,1-012021,9  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A hybrid model, called the hybrid plasma equipment model (HPEM), is used to describe the plasma chemistry in an inductively coupled plasma, operating in a gas mixture of C2H2 with either H2 or NH3, as typically used for carbon nanotube (CNT) growth. Two-dimensional profiles of power density, electron temperature and density, gas temperature, and densities of some plasma species are plotted and analyzed. Besides, the fluxes of the various plasma species towards the substrate (where the CNTs can be grown), as well as the decomposition rates of the feedstock gases (C2H2, NH3 and H2), are calculated as a function of the C2H2 fraction in both gas mixtures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos Publication Date 2011-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:85859 Serial 2631  
Permanent link to this record
 

 
Author Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E. url  doi
openurl 
  Title New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy Type A1 Journal article
  Year 2017 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 791 Issue 791 Pages (down) 012021  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400610500021 Publication Date 2017-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. Approved Most recent IF: NA  
  Call Number CMT @ cmt @ c:irua:140850 Serial 4426  
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. url  doi
openurl 
  Title Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals Type A1 Journal article
  Year 2007 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 86 Issue Pages (down) 12020-12020,15  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations using the Brenner potential have been performed to investigate reaction mechanisms of various hydrocarbon radicals with low kinetic energies on amorphous hydrogenated carbon (a-C:H) surfaces and to simulate thin a-C:H film growth. Experimental data from an expanding thermal plasma setup were used as input for the simulations. The hydrocarbon reaction mechanisms were studied both during growth of the films and on a set of surface sites specific for a-C:H surfaces. Thin film growth was studied using experimentally detected growth species. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000256282900020 Publication Date 2007-11-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 22 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:65692 Serial 2817  
Permanent link to this record
 

 
Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T.; Wendler, L. doi  openurl
  Title Screening of the electron-phonon interaction in quasi-one-dimensional semiconductor structures Type A1 Journal article
  Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 48 Issue 16 Pages (down) 12016-12022  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1993ME60100059 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 41 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #  
  Call Number UA @ lucian @ c:irua:5751 Serial 2955  
Permanent link to this record
 

 
Author Bogaerts, A.; Aerts, R.; Snoeckx, R.; Somers, W.; Van Gaens, W.; Yusupov, M.; Neyts, E. url  doi
openurl 
  Title Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications Type A1 Journal article
  Year 2012 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 399 Issue Pages (down) 012011  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, an overview is given of modeling investigations carried out in our research group for a better understanding of plasmas used for medical, environmental and nano applications. The focus is both on modeling the plasma chemistry and the plasma-surface interactions. The plasma chemistry provides the densities and fluxes of the important plasma species. This information can be used as input when modeling the plasma-surface interactions. The combination of plasma simulations and plasma – surface interaction simulations provides a more comprehensive understanding of the underlying processes for these applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000312261700011 Publication Date 2012-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 7 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:104727 Serial 2130  
Permanent link to this record
 

 
Author Peeters, F.M.; Matulis, A.; Helm, M.; Fromherz, T.; Hilber, W. doi  openurl
  Title Oscillator strength and sum rule for inter-subband transitions in a superlattice Type A1 Journal article
  Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 48 Issue Pages (down) 12008-12015  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1993ME60100058 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 28 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:5782 Serial 2536  
Permanent link to this record
 

 
Author Neilson, D.; Perali, A.; Zarenia, M. url  doi
openurl 
  Title Many-body electron correlations in graphene Type P1 Proceeding
  Year 2016 Publication (mbt18) Abbreviated Journal  
  Volume 702 Issue 702 Pages (down) 012008  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity.  
  Address  
  Corporate Author Thesis  
  Publisher Iop publishing ltd Place of Publication Bristol Editor  
  Language Wos 000389756000008 Publication Date 2016-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 702 Series Issue Edition  
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:140268 Serial 4455  
Permanent link to this record
 

 
Author de Jong van Coevorden, C.M.; Gielis, J.; Caratelli, D. url  doi
openurl 
  Title Application of Gielis transformation to the design of metamaterial structures Type A1 Journal article
  Year 2018 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 963 Issue Pages (down) Unsp 012008  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In this communication, the use of Gielis transformation to design more compact metamaterial unit cells is explored. For this purpose, transformed complementary split ring resonators and spiral resonators are coupled to micro-strip lines and theirbehaviour is investigated. The obtained results confirm that the useof the considered class of supershaped geometries enables the synthesis of very compact scalable microwave components.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000435022800008 Publication Date 2018-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:150947 Serial 7475  
Permanent link to this record
 

 
Author Gensterblum, G.; Hevesi, K.; Han, B.Y.; Yu, L.M.; Pireaux, J.J.; Thiry, P.A.; Caudano, R.; Lucas, A.A.; Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; Bendele, G.; Buslaps, T.; Johnson, R.L.; Foss, M.; Feidenhans’l, R.; Le Lay, G.; url  doi
openurl 
  Title Growth mode and electronic-structure of the epitaxial C60(111)/GeS(001) interface Type A1 Journal article
  Year 1994 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 50 Issue 16 Pages (down) 11981-11995  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1994PR43400080 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 81 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:99825 Serial 1393  
Permanent link to this record
 

 
Author Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E. doi  openurl
  Title Optical encoding of luminescent carbon nanodots in confined spaces Type A1 Journal article
  Year 2021 Publication Chemical Communications Abbreviated Journal Chem Commun  
  Volume 57 Issue 90 Pages (down) 11952-11955  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000711122000001 Publication Date 2021-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.319 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.319  
  Call Number UA @ admin @ c:irua:184147 Serial 6876  
Permanent link to this record
 

 
Author Ghorbani, A.; Mousazadeh, H.; Taheri, F.; Ehteshammajd, S.; Azadi, H.; Yazdanpanah, M.; Khajehshahkohi, A.; Tanaskovik, V.; Van Passel, S. pdf  doi
openurl 
  Title An attempt to develop ecotourism in an unknown area : the case of Nehbandan County, South Khorasan Province, Iran Type A1 Journal article
  Year 2021 Publication Environment, development and sustainability Abbreviated Journal  
  Volume 23 Issue 8 Pages (down) 11792-11817  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract This study is an attempt to develop ecotourism in Nehbandan County, in the South Khorasan Province, Iran, by representing unknown areas that have tourism potential. The most important obstacle in the development of tourism industry is the lack of strong marketing plans, tourism management, accommodations for overnight and long stays, and medical and health clinic in the desert. This is a qualitative, exploratory case study investigating the status of environmental, sociocultural, and economic impacts of ecotourism development on the native people's livelihood in Nehbandan County in Iran. The methodology is based on field observations, secondary data sources, and field survey. It is an interpretive approach that avoids numbers but focuses on issues linked to culture and nature. In the present study, the grounded theory was used to perform data analysis. Based on the findings, ecotourism has undoubtedly proven to be an effective environmental conservation tool in the study site and enables local people to increase their livelihood security through employment in activities relating to ecotourism and the development of rural livelihood.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000604534700011 Publication Date 2021-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-585x ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:174994 Serial 6914  
Permanent link to this record
 

 
Author Fomin, V.M.; Misko, V.R.; Devreese, J.T.; Moshchalkov, V.V. doi  openurl
  Title Superconducting mesoscopic square loop Type A1 Journal article
  Year 1998 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 58 Issue Pages (down) 11703-11715  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000076716700093 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 43 Open Access  
  Notes Approved Most recent IF: 3.836; 1998 IF: NA  
  Call Number UA @ lucian @ c:irua:21906 Serial 3354  
Permanent link to this record
 

 
Author Ma, X.; Beltran, V.; Ramer, G.; Pavlidis, G.; Parkinson, D.Y.; Thoury, M.; Meldrum, T.; Centrone, A.; Berrie, B.H. doi  openurl
  Title Revealing the distribution of metal carboxylates in oil paint from the micro- to nanoscale Type A1 Journal article
  Year 2019 Publication Angewandte Chemie: international edition in English Abbreviated Journal  
  Volume 58 Issue 34 Pages (down) 11652-11656  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Oil paints comprise pigments, drying oils, and additives that together confer desirable properties, but can react to form metal carboxylates (soaps) that may damage artworks over time. To obtain information on soap formation and aggregation, we introduce a new tapping-mode measurement paradigm for the photothermal induced resonance (PTIR) technique that enables nanoscale IR spectroscopy and imaging on highly heterogenous and rough paint thin sections. PTIR is used in combination with mu-computed tomography and IR microscopy to determine the distribution of metal carboxylates in a 23-year old oil paint of known formulation. Results show that heterogeneous agglomerates of Al-stearate and a Zn-carboxylate complex with Zn-stearate nano-aggregates in proximity are distributed randomly in the paint. The gradients of zinc carboxylates are unrelated to the Al-stearate distribution. These measurements open a new chemically sensitive nanoscale observation window on the distribution of metal soaps that can bring insights for understanding soap formation in oil paint.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000478409100001 Publication Date 2019-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:163573 Serial 8478  
Permanent link to this record
 

 
Author Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C. doi  openurl
  Title Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 23 Pages (down) 11648-11653  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332470000017 Publication Date 2014-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 45 Open Access Not_Open_Access  
  Notes ; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:117298 Serial 168  
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Author Gordon, I.; Wagner, P.; Das, A.; Vanacken, J.; Moshchalkov, V.V.; Bruynseraede, Y.; Schuddinck, W.; Van Tendeloo, G.; Ziese, M.; Borghs, G. doi  openurl
  Title Comparative Hall studies in the electron- and hole-doped manganites La0.33Ca0.67MnO3 and La0.70Ca0.30MnO3 Type A1 Journal article
  Year 2000 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 62 Issue 17 Pages (down) 11633-11638  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000165201900064 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes Approved Most recent IF: 3.836; 2000 IF: NA  
  Call Number UA @ lucian @ c:irua:54734 Serial 417  
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Author Cândido, L.; Rino, J.-P.; Studart, N.; Peeters, F.M. doi  openurl
  Title Structure and spectrum of the anisotropically confined two-dimensional Yukawa system Type A1 Journal article
  Year 1998 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 10 Issue Pages (down) 11627-11644  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000077882400004 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 69 Open Access  
  Notes Approved Most recent IF: 2.649; 1998 IF: 1.645  
  Call Number UA @ lucian @ c:irua:24174 Serial 3297  
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Author Gjerding, M.N.; Cavalcante, L.S.R.; Chaves, A.; Thygesen, K.S. pdf  url
doi  openurl
  Title Efficient Ab initio modeling of dielectric screening in 2D van der Waals materials : including phonons, substrates, and doping Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 124 Issue 21 Pages (down) 11609-11616  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The quantum electrostatic heterostructure (QEH) model allows for efficient computation of the dielectric screening properties of layered van der Waals (vdW)-bonded heterostructures in terms of the dielectric functions of the individual two-dimensional (2D) layers. Here, we extend the QEH model by including (1) contributions to the dielectric function from infrared active phonons in the 2D layers, (2) screening from homogeneous bulk substrates, and (3) intraband screening from free carriers in doped 2D semiconductor layers. We demonstrate the potential of the extended QEH model by calculating the dispersion of coupled phonons in multilayer stacks of hexagonal boron-nitride (hBN), the strong hybridization of plasmons and optical phonons in graphene/hBN heterostructures, the effect of substrate screening on the exciton series of monolayer MoS2, and the properties of hyperbolic plasmons in a doped phosphorene sheet. The new QEH code is distributed as a Python package with a simple command line interface and a comprehensive library of dielectric building blocks for the most common 2D materials, providing an efficient open platform for dielectric modeling of realistic vdW heterostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000614615900022 Publication Date 2020-05-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2020 IF: 4.536  
  Call Number UA @ admin @ c:irua:176187 Serial 7852  
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Author Monico, L.; Chieli, A.; De Meyer, S.; Cotte, M.; de Nolf, W.; Falkenberg, G.; Janssens, K.; Romani, A.; Miliani, C. pdf  url
doi  openurl
  Title Role of the relative humidity and the Cd/Zn stoichiometry in the photooxidation process of cadmium yellows (CdS/Cd1-xZnxS) in oil paintings Type A1 Journal article
  Year 2018 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 24 Issue 45 Pages (down) 11584-11593  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Cadmium yellows (CdYs) refer to a family of cadmium sulfide pigments, which have been widely used by artists since the late 19th century. Despite being considered stable, they are suffering from discoloration in iconic paintings, such as Joy of Life by Matisse, Flowers in a blue vase by Van Gogh, and The Scream by Munch, most likely due to the formation of CdSO4 center dot nH(2)O. The driving factors of the CdYs degradation and how these affect the overall process are still unknown. Here, we study a series of oil mock-up paints made of CdYs of different stoichiometry (CdS/Cd0.76Zn0.24S) and crystalline structure (hexagonal/ cubic) before and after aging at variable relative humidity under exposure to light and in darkness. Synchrotron radiation-based X-ray methods combined with UV-Vis and FTIR spectroscopy show that: 1) Cd0.76Zn0.24S is more susceptible to photooxidation than CdS; both compounds can act as photocatalysts for the oil oxidation. 2) The photooxidation of CdS/Cd0.76Zn0.24S to CdSO4 center dot nH(2)O is triggered by moisture. 3) The nature of alteration products depends on the aging conditions and the Cd/Zn stoichiometry. Based on our findings, we propose a scheme for the mechanism of the photocorrosion process and the photocatalytic activity of CdY pigments in the oil binder. Overall, our results form a reliable basis for understanding the degradation of CdS-based paints in artworks and contribute towards developing better ways of preserving them for future generations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000441126900012 Publication Date 2018-06-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 5 Open Access  
  Notes ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (Grant agreement n. 654028) and by the BOF-GOA Project SOLARPaint (University of Antwerp Research Council). For the beamtime grants received, we thank the ESRF (experiments n. HG64, HG95 and in-house beamtimes) and PETRA III-DESY (experiments: I-20130221 EC, I-20160126 EC). We are also grateful to Dr. Jan Garrevoet for his contribution to set up the P06-beamline at PETRA III-DESY. ; Approved Most recent IF: 5.317  
  Call Number UA @ admin @ c:irua:153733 Serial 5821  
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Author Morales-Yanez, F.; Trashin, S.; Hermy, M.; Sariego, I.; Polman, K.; Muyldermans, S.; De Wael, K. url  doi
openurl 
  Title Fast one-step ultrasensitive detection of toxocara canis antigens by a nanobody-based electrochemical magnetosensor Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 18 Pages (down) 11582-11588  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Human toxocariasis (HT) is a cosmopolitan zoonotic disease caused by the migration of the larval stage of the roundworm Toxocara canis. Current HT diagnostic methods do not discriminate between active and past infections. Here, we present a method to quantify Toxocara excretory/secretory antigen, aiming to identify active cases of HT. High specificity is achieved by employing nanobodies (Nbs), single domain antigen binding fragments from camelid heavy chain-only antibodies. High sensitivity is obtained by the design of an electrochemical magnetosensor with an amperometric read-out. Reliable detection of TES antigen at 10 and 30 pg/mL level was demonstrated in phosphate buffered saline and serum, respectively. Moreover, the assay showed no cross-reactivity with other nematode antigens. To our knowledge, this is the most sensitive method to quantify the TES antigen so far. It also has great potential to develop point of care diagnostic systems in other conditions where high sensitivity and specificity are required.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487156900016 Publication Date 2019-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 2 Open Access  
  Notes ; This project was funded by the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO-Flanders, Project G.0189.13N) and BOF UAntwerp. The authors acknowledge Prof. Pierre Dorny (Institute of Tropical Medicine Antwerp) and Dr. Beatrice Nickel (Swiss Institute of Tropical Medicine) for providing the antigens needed for the cross-reactivity experiments. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:163784 Serial 5621  
Permanent link to this record
 

 
Author Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. url  doi
openurl 
  Title Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 21 Issue 31 Pages (down) 11556-11565  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000293190200018 Publication Date 2011-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 44 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:91945 Serial 3632  
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Author Zarenia, M.; Neilson, D.; Peeters, F.M. url  doi
openurl 
  Title Inhomogeneous phases in coupled electron-hole bilayer graphene sheets : charge density waves and coupled wigner crystals Type A1 Journal article
  Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 7 Issue Pages (down) 11510  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Recently proposed accurate correlation energies are used to determine the phase diagram of strongly coupled electron-hole graphene bilayers. The control parameters of the phase diagram are the charge carrier density and the insulating barrier thickness separating the bilayers. In addition to the electron-hole superfluid phase we find two new inhomogeneous ground states, a one dimensional charge density wave phase and a coupled electron-hole Wigner crystal. The elementary crystal structure of bilayer graphene plays no role in generating these new quantum phases, which are completely determined by the electrons and holes interacting through the Coulomb interaction. The experimental parameters for the new phases lie within attainable ranges and therefore coupled electron-hole bilayer graphene presents itself as an experimental system where novel emergent many-body phases can be realized.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000410739000008 Publication Date 2017-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 13 Open Access  
  Notes ; We thank Alex Hamilton, Bart Partoens, and Andrea Perali for useful discussions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. D.N. acknowledges support by the University of Camerino FAR project CESEMN. ; Approved Most recent IF: 4.259  
  Call Number UA @ lucian @ c:irua:145620 Serial 4742  
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Author Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Rozova, M.G.; Sarakinou, E.; Antipov, E.V. doi  openurl
  Title Expanding the Ruddlesden-Popper manganite family : the n=3 La3.2Ba0.8Mn3O10 Member Type A1 Journal article
  Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 51 Issue 21 Pages (down) 11487-11492  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract La3.2Ba0.8Mn3O10, a representative of the rare n = 3 members of the Ruddlesden-Popper manganites A(n+1)Mn(n)O(3n+1), was synthesized in an evacuated sealed silica tube. Its crystal structure was refined from a combination of powder X-ray diffraction (PXD) and precession electron diffraction (PED) data, with the rotations of the MnO6 octahedra described within the symmetry-adapted mode approach (space group Cccm, a = 29.068(1) angstrom, b = 5.5504(5) angstrom, c = 5.5412(5) angstrom; PXD RF = 0.053, RP = 0.026; PED RF = 0.248). The perovskite block in La3.2Ba0.8Mn3O10 features an octahedral tilting distortion with out-of-phase rotations of the Mn06 octahedra according to the (Phi,Phi,0)(Phi,Phi,0) mode, observed for the first time in the n = 3 Ruddlesden-Popper structures. The Mn06 octahedra demonstrate a noticeable deformation with the elongation of two apical Mn-O bonds due to the Jahn-Teller effect in the Mn3+ cations. The relationships between the octahedral tilting distortion, the ionic radii of the cations at the A- and B-positions, and the mismatch between the perovslcite and rock-salt blocks of the Ruddlesden-Popper structure are discussed. At low temperatures, La3.2Ba0.8Mn3O10 reveals a sizable remnant magnetization of about 1.3 mu(B)/Mn at 2K, and shows signatures of spin freezing below 150 K.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000313220200036 Publication Date 2012-10-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 2 Open Access  
  Notes Approved Most recent IF: 4.857; 2012 IF: 4.593  
  Call Number UA @ lucian @ c:irua:110121 Serial 1133  
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Author Javdani, Z.; Hassani, N.; Faraji, F.; Zhou, R.; Sun, C.; Radha, B.; Neyts, E.; Peeters, F.M.; Neek-Amal, M. pdf  url
doi  openurl
  Title Clogging and unclogging of hydrocarbon-contaminated nanochannels Type A1 Journal article
  Year 2022 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 13 Issue 49 Pages (down) 11454-11463  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000893147700001 Publication Date 2022-12-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.7 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.7  
  Call Number UA @ admin @ c:irua:192815 Serial 7263  
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Author Polavarapu, L.; Zanaga, D.; Altantzis, T.; Rodal-Cedeira, S.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Liz-Marzán, L.M. pdf  url
doi  openurl
  Title Galvanic Replacement Coupled to Seeded Growth as a Route for Shape-Controlled Synthesis of Plasmonic Nanorattles Type A1 Journal article
  Year 2016 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 138 Issue 138 Pages (down) 11453-11456  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Shape-controlled synthesis of metal nanoparticles (NPs) requires mechanistic understanding toward the development of modern nanoscience and nanotechnology. We demonstrate here an unconventional shape transformation of Au@Ag core−shell NPs (nanorods and nanocubes) into octahedral nanorattles via roomtemperature galvanic replacement coupled with seeded growth. The corresponding morphological and chemical transformations were investigated in three dimensions, using state-of-the-art X-ray energy-dispersive spectroscopy (XEDS) tomography. The addition of a reducing agent (ascorbic acid) plays a key role in this unconventional mechanistic path, in which galvanic replacement is found to dominate initially when the shell is made of Ag, while seeded growth suppresses transmetalation when a composition of Au:Ag (∼60:40) is reached in the shell, as revealed by quantitative XEDS tomography. This work not only opens new avenues toward the shape control of hollow NPs beyond the morphology of sacrificial templates, but also expands our understanding of chemical transformations in nanoscale galvanic replacement reactions. The XEDS electron tomography study presented here can be generally applied to investigate a wide range of nanoscale morphological and chemical transformations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383410700008 Publication Date 2016-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 75 Open Access OpenAccess  
  Notes This work has been funded by the European Research Council (ERC Advanced Grant No. 267867- PLASMAQUO, ERC Starting Grant No. 335078-COLOURATOMS) and Spanish MINECO (Grants MAT2013-45168-R and MAT2013-46101-R); ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.858  
  Call Number EMAT @ emat @ c:irua:137123 Serial 4329  
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title Accurate ab initio quartic force fields and thermochemistry of FNO and CINO Type A1 Journal article
  Year 1994 Publication The journal of physical chemistry Abbreviated Journal  
  Volume 98 Issue 44 Pages (down) 11394-11400  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos A1994PP89400022 Publication Date 2005-03-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3654;1541-5740; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12310 Serial 44  
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