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Author Yandouzi, M.; Toth, L.; Schryvers, D.
  Title High resolution transmission electron microscopy study of nanoscale Ni-rich Ni-Al films evaporated onto NaCl and KCl Type A1 Journal article
  Year 1998 Publication Nanostructured materials Abbreviated Journal Nanostruct Mater
  Volume (down) 10 Issue Pages 99-115
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York Editor
  Language Wos 000073840600011 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0965-9773; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 2 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:48370 Serial 1463
Permanent link to this record
 

 
Author Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C.
  Title How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations Type A1 Journal article
  Year 2015 Publication Biointerphases Abbreviated Journal Biointerphases
  Volume (down) 10 Issue 10 Pages 029501
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The application of nonthermal atmospheric pressure plasma is emerging as an alternative and efficient technique for the inactivation of bacterial biofilms. In this study, reactive molecular dynamics simulations were used to examine the reaction mechanisms of hydroxyl radicals, as key reactive oxygen plasma species in biological systems, with several organic molecules (i.e., alkane, alcohol, carboxylic acid, and amine), as prototypical components of biomolecules in the biofilm. Our results demonstrate that organic molecules containing hydroxyl and carboxyl groups may act as trapping agents for the OH radicals. Moreover, the impact of OH radicals on N-acetyl-glucosamine, as constituent component of staphylococcus epidermidis biofilms, was investigated. The results show how impacts of OH radicals lead to hydrogen abstraction and subsequent molecular damage. This study thus provides new data on the reaction mechanisms of plasma species, and particularly the OH radicals, with fundamental components of bacterial biofilms.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000357195600019 Publication Date 2014-12-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1934-8630;1559-4106; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.603 Times cited 10 Open Access
  Notes Approved Most recent IF: 2.603; 2015 IF: 3.374
  Call Number c:irua:121371 Serial 1492
Permanent link to this record
 

 
Author Cidu, R.; Fanfani, L.; Shand, P.; Edmunds, W.M.; Van 't dack, L.; Gijbels, R.
  Title Hydrogeochemical exploration for gold in the Osilo area, Sardinia, Italy Type A1 Journal article
  Year 1995 Publication Applied geochemistry Abbreviated Journal Appl Geochem
  Volume (down) 10 Issue Pages 517-530
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos A1995TP12700003 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0883-2927; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.268 Times cited 10 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12273 Serial 1536
Permanent link to this record
 

 
Author Wende, K.; Williams, P.; Dalluge, J.; Van Gaens, W.; Aboubakr, H.; Bischof, J.; von Woedtke, T.; Goyal, S.M.; Weltmann, K.D.; Bogaerts, A.; Masur, K.; Bruggeman, P.J.;
  Title Identification of the biologically active liquid chemistry induced by a nonthermal atmospheric pressure plasma jet Type A1 Journal article
  Year 2015 Publication Biointerphases Abbreviated Journal Biointerphases
  Volume (down) 10 Issue 10 Pages 029518
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The mechanism of interaction of cold nonequilibrium plasma jets with mammalian cells in physiologic liquid is reported. The major biological active species produced by an argon RF plasma jet responsible for cell viability reduction are analyzed by experimental results obtained through physical, biological, and chemical diagnostics. This is complemented with chemical kinetics modeling of the plasma source to assess the dominant reactive gas phase species. Different plasma chemistries are obtained by changing the feed gas composition of the cold argon based RF plasma jet from argon, humidified argon (0.27%), to argon/oxygen (1%) and argon/air (1%) at constant power. A minimal consensus physiologic liquid was used, providing isotonic and isohydric conditions and nutrients but is devoid of scavengers or serum constituents. While argon and humidified argon plasma led to the creation of hydrogen peroxide dominated action on the mammalian cells, argonoxygen and argonair plasma created a very different biological action and was characterized by trace amounts of hydrogen peroxide only. In particular, for the argonoxygen (1%), the authors observed a strong negative effect on mammalian cell proliferation and metabolism. This effect was distance dependent and showed a half life time of 30 min in a scavenger free physiologic buffer. Neither catalase and mannitol nor superoxide dismutase could rescue the cell proliferation rate. The strong distance dependency of the effect as well as the low water solubility rules out a major role for ozone and singlet oxygen but suggests a dominant role of atomic oxygen. Experimental results suggest that O reacts with chloride, yielding Cl2 − or ClO−. These chlorine species have a limited lifetime under physiologic conditions and therefore show a strong time dependent biological activity. The outcomes are compared with an argon MHz plasma jet (kinpen) to assess the differences between these (at least seemingly) similar plasma sources.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000357195600036 Publication Date 2015-05-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1934-8630;1559-4106; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.603 Times cited 137 Open Access
  Notes Approved Most recent IF: 2.603; 2015 IF: 3.374
  Call Number c:irua:126774 Serial 1549
Permanent link to this record
 

 
Author Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M.
  Title Influence of the lattice symmetry on melting of the bilayer Wigner crystal Type A1 Journal article
  Year 2000 Publication Journal de physique: 4 T2 – International Conference on Strongly Coupled Coulomb Systems, SEP 04-10, 1999, ST MALO, FRANCE Abbreviated Journal J Phys Iv
  Volume (down) 10 Issue P5 Pages 117-120
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The melting transition of the five different lattices of a bilayer crystal is studied using the Monte-Carlo (MC) technique. We found the surprising result that the square lattice has a substantial larger melting temperature as compared to the other lattice structures, which is a consequence of the specific topology of the temperature induced defects. A new melting criterion is formulated which we show to be universal for bilayers as well as for single layer crystals.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Les Ulis Editor
  Language Wos 000087026300016 Publication Date 2007-07-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1155-4339; 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:103954 Serial 1647
Permanent link to this record
 

 
Author Eckert, M.; Neyts, E.; Bogaerts, A.
  Title Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations Type A1 Journal article
  Year 2010 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
  Volume (down) 10 Issue 7 Pages 3005-3021
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000279422700032 Publication Date 2010-05-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.055 Times cited 13 Open Access
  Notes Approved Most recent IF: 4.055; 2010 IF: 4.390
  Call Number UA @ lucian @ c:irua:83065 Serial 1675
Permanent link to this record
 

 
Author Hadermann, J.; Abakumov, A.M.; Nikolaev, I.V.; Antipov, E.V.; Van Tendeloo, G.
  Title Local structure of perovskite-based “Pb2Fe2O5 Type A1 Journal article
  Year 2008 Publication Solid state sciences Abbreviated Journal Solid State Sci
  Volume (down) 10 Issue 4 Pages 382-389
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000256200200003 Publication Date 2008-01-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.811 Times cited 29 Open Access
  Notes Approved Most recent IF: 1.811; 2008 IF: 1.742
  Call Number UA @ lucian @ c:irua:69289 Serial 1832
Permanent link to this record
 

 
Author Schapotschnikow, P.; van Huis, M.A.; Zandbergen, H.W.; Vanmaekelbergh, D.; Vlugt, T.J.H.
  Title Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations Type A1 Journal article
  Year 2010 Publication Nano letters Abbreviated Journal Nano Lett
  Volume (down) 10 Issue 10 Pages 3966-3971
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington Editor
  Language Wos 000282727600028 Publication Date 2010-09-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 59 Open Access
  Notes Approved Most recent IF: 12.712; 2010 IF: 12.219
  Call Number UA @ lucian @ c:irua:84902 Serial 2205
Permanent link to this record
 

 
Author Alexandrov, A.L.; Schweigert, I.V.; Peeters, F.M.
  Title A non-Maxwellian kinetic approach for charging of dust particles in discharge plasmas Type A1 Journal article
  Year 2008 Publication New journal of physics Abbreviated Journal New J Phys
  Volume (down) 10 Issue Pages 093025,1-093025,12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Nanoparticle charging in a capacitively coupled radio frequency discharge in argon is studied using a particle in cell Monte Carlo collisions method. The plasma parameters and dust potential were calculated self-consistently for different unmovable dust profiles. A new method for definition of the dust floating potential is proposed, based on the information about electron and ion energy distribution functions, obtained during the kinetic simulations. This approach provides an accurate balance of the electron and ion currents on the dust particle surface and allows us to precisely calculate the dust floating potential. A comparison of the obtained floating potentials with the results of the traditional orbital motion limit (OML) theory shows that in the presence of the ion resonant charge exchange collisions, even when the OML approximation is valid, its results are correct only in the region of a weak electric field, where the ion drift velocity is much smaller than the thermal one. With increasing ion drift velocity, the absolute value of the calculated dust potential becomes significantly smaller than the theory predicts. This is explained by a non-Maxwellian shape of the ion energy distribution function for the case of fast ion drift.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000259615700004 Publication Date 2008-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.786 Times cited 19 Open Access
  Notes Approved Most recent IF: 3.786; 2008 IF: 3.440
  Call Number UA @ lucian @ c:irua:76519 Serial 2348
Permanent link to this record
 

 
Author Marmorkos, I.K.; Matulis, A.; Peeters, F.M.
  Title Stability of the superconducting vortex structure around a magnetic dot Type A3 Journal article
  Year 1995 Publication Physics of low-dimensional structures Abbreviated Journal
  Volume (down) 10/11 Issue Pages 77-86
  Keywords A3 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:13036 Serial 3133
Permanent link to this record
 

 
Author Cândido, L.; Rino, J.-P.; Studart, N.; Peeters, F.M.
  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 (down) 10 Issue Pages 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
Permanent link to this record
 

 
Author Francesconi, M.G.; Kirbyshire, A.L.; Greaves, C.; Richard, O.; Van Tendeloo, G.
  Title Synthesis and structure of Bi14O20(SO4), a new bismuth oxide sulfate Type A1 Journal article
  Year 1998 Publication Chem. mater. Abbreviated Journal Chem Mater
  Volume (down) 10 Issue Pages 626-632
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000072146800027 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 30 Open Access
  Notes Approved Most recent IF: 9.466; 1998 IF: 3.359
  Call Number UA @ lucian @ c:irua:25660 Serial 3442
Permanent link to this record
 

 
Author Schweigert, V.A.; Peeters, F.M.
  Title Time dependent properties of classical artificial atoms Type A1 Journal article
  Year 1998 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume (down) 10 Issue Pages 2417-2435
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000072951000006 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 18 Open Access
  Notes Approved Most recent IF: 2.649; 1998 IF: 1.645
  Call Number UA @ lucian @ c:irua:24175 Serial 3665
Permanent link to this record
 

 
Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Turner, S.; Van Tendeloo, G.
  Title Fabrication and Characterization of Fe2O3-Based Nanostructures Functionalized with Metal Particles and Oxide Overlayers Type A1 Journal article
  Year 2015 Publication Journal of advanced microscopy research Abbreviated Journal
  Volume (down) 10 Issue 10 Pages 239-243
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We report on the design of nanosystems based on functionalized -Fe 2 O 3 nanostructures supported on fluorine-doped tin oxide (FTO) substrates. The target materials were developed by means of hybrid vapor phase approaches, combining plasma assisted-chemical vapor deposition (PA-CVD) for the production of iron(III) oxide systems and the subsequent radio frequency (RF)-sputtering or atomic layer deposition (ALD) for the functionalization with Au nanoparticles or TiO 2 overlayers, respectively. The interplay between material characteristics and the adopted processing parameters was investigated by complementary analytical techniques, encompassing X-ray photoelectron spectroscopy (XPS), field emission-scanning electron microscopy (FE-SEM), high angle annular dark field-scanning transmission electron microscopy (HAADF-STEM), and energy dispersive X-ray spectroscopy (EDXS). The obtained results highlight the possibility of fabricating Au/ -Fe 2 O 3 nanocomposites, with a controlled dispersion and distribution of metal particles, and TiO 2 / -Fe 2 O 3 heterostructures, characterized by an intimate coupling between the constituent oxides.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2015-12-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2156-7573 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes The authors acknowledge the financial support under the FP7 project “SOLARO- GENIX” (NMP4-SL-2012-310333), as well as Padova University ex-60% 2012–2015 projects, grant n CPDR132937/13 (SOLLEONE), and Regione Lombardia- INSTM ATLANTE program. Stuart Turner acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Dr. L. Borgese and Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia Univer- sity, Italy) for precious assistance in ALD experiments. Approved Most recent IF: NA
  Call Number EMAT @ emat @ c:irua:132798 Serial 4058
Permanent link to this record
 

 
Author Altantzis, T.; Coutino-Gonzalez, E.; Baekelant, W.; Martinez, G.T.; Abakumov, A.M.; Van Tendeloo, G.; Roeffaers, M.B.J.; Bals, S.; Hofkens, J.
  Title Direct Observation of Luminescent Silver Clusters Confined in Faujasite Zeolites Type A1 Journal article
  Year 2016 Publication ACS nano Abbreviated Journal Acs Nano
  Volume (down) 10 Issue 10 Pages 7604-7611
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract One of the ultimate goals in the study of metal clusters is the correlation between the atomic-scale organization and their physicochemical properties. However, direct observation of the atomic organization of such minuscule metal clusters is heavily hindered by radiation damage imposed by the different characterization techniques. We present direct evidence of the structural arrangement, at an atomic level, of luminescent silver species stabilized in faujasite (FAU) zeolites using aberration-corrected scanning transmission electron microscopy. Two different silver clusters were identified in Ag-FAU zeolites, a trinuclear silver species associated with green emission and a tetranuclear silver species related to yellow emission. By combining direct imaging with complementary information obtained from X-ray powder diffraction and Rietveld analysis, we were able to elucidate the main differences at an atomic scale between luminescent (heat-treated) and nonluminescent (cation-exchanged) Ag-FAU zeolites. It is expected that such insights will trigger the directed synthesis of functional metal nanocluster-zeolite composites with tailored luminescent properties.
  Address RIES, Hokkaido University , N20W10, Kita-Ward Sapporo 001-0020, Japan
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000381959100043 Publication Date 2016-07-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 57 Open Access OpenAccess
  Notes The authors gratefully acknowledge financial support from the Belgian Federal government (Belspo through the IAP-VI/27 and IAP-VII/05 programs), the European Union’s Seventh Framework Programme (FP7/2007-2013 under grant agreement no. 310651 SACS and no. 312483-ESTEEM2), the Flemish government in the form of long-term structural funding “Methusalem” grant METH/15/04 CASAS2, the Hercules foundation (HER/11/14), the “Strategisch Initiatief Materialen” SoPPoM program, and the Fund for Scientific Research Flanders (FWO) grants G.0349.12 and G.0B39.15. S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). The authors thank Prof. S. Van Aert for helpful discussions, Dr. T. De Baerdemaeker for XRD measurements, Mr. B. Dieu for the preparation of graphical material, and UOP Antwerp for the kind donation of zeolite samples.; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942
  Call Number c:irua:134576 c:irua:134576 Serial 4102
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Author Martens, J.A.; Bogaerts, A.; De Kimpe, N.; Jacobs, P.A.; Marin, G.B.; Rabaey, K.; Saeys, M.; Verhelst, S.
  Title The Chemical Route to a Carbon Dioxide Neutral World Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume (down) 10 Issue 10 Pages 1039-1055
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Excessive CO2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO2 from flue gases of large industrial installations and its conversion into fuels and chemicals with fast catalytic processes seems technically possible. Some emerging technologies are already being demonstrated on an industrial scale. Others are still being tested on a laboratory or pilot scale. These emerging chemical technologies can be implemented in a time window ranging from 5 to 20 years. The massive amounts of energy needed for capturing processes and the conversion of CO2 should come from low-carbon energy sources, such as tidal, geothermal, and nuclear energy, but also, mainly, from the sun. Synthetic methane gas that can be formed from CO2 and hydrogen gas is an attractive renewable energy carrier with an existing distribution system. Methanol offers advantages as a liquid fuel and is also a building block for the chemical industry. CO2 emissions from diffuse sources is a difficult problem to solve, particularly for CO2 emissions from road, water, and air transport, but steady progress in the development of technology for capturing CO2 from air is being made. It is impossible to ban carbon from the entire energy

supply of mankind with the current technological knowledge, but a transition to a mixed carbon–hydrogen economy can reduce net CO2 emissions and ultimately lead to a CO2-neutral world.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000398182800002 Publication Date 2017-02-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 75 Open Access OpenAccess
  Notes This paper is written by members of the Royal Flemish Academy of Belgium for Science and the Arts (KVAB) and external experts. KVAB is acknowledged for supporting the writing and publishing of this viewpoint. Valuable suggestions made by colleagues Jan Kretzschmar, Stan Ulens, and Luc Sterckx are highly appreciated. Special thanks go to Mr. Bert Seghers and Mrs. N. Boelens of KVAB for practical assistance. Mr. Tim Lacoere is acknowledged for graphic design and layout of the figures, and Steven Heylen and Elke Verheyen are acknowledged for data collection and editorial assistance. Approved Most recent IF: 7.226
  Call Number PLASMANT @ plasmant @ c:irua:141916 Serial 4532
Permanent link to this record
 

 
Author Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M.
  Title Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators Type A1 Journal article
  Year 2017 Publication Nano Research Abbreviated Journal Nano Res
  Volume (down) 10 Issue 10 Pages 2168-2180
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000401320700029 Publication Date 2017-04-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.354 Times cited 15 Open Access
  Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; Approved Most recent IF: 7.354
  Call Number UA @ lucian @ c:irua:143739 Serial 4598
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Author Ramakers, M.; Trenchev, G.; Heijkers, S.; Wang, W.; Bogaerts, A.
  Title Gliding Arc Plasmatron: Providing an Alternative Method for Carbon Dioxide Conversion Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume (down) 10 Issue 10 Pages 2642-2652
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Low-temperature plasmas are gaining a lot of interest for environmental and energy applications. A large research field in these applications is the conversion of CO2 into chemicals and fuels. Since CO2 is a very stable molecule, a key performance indicator for the research on plasma-based CO2 conversion is the energy efficiency. Until now, the energy efficiency in atmospheric plasma reactors is quite low, and therefore we employ here a novel type of plasma reactor, the gliding arc plasmatron (GAP). This paper provides a detailed experimental and computational study of the CO2 conversion, as well as the energy cost and efficiency in a GAP. A comparison with thermal conversion, other plasma types and other novel CO2 conversion technologies is made to find out whether this novel plasma reactor can provide a significant contribution to the much-needed efficient conversion of CO2. From these comparisons it becomes evident that our results are less than a factor of two away from being cost competitive and already outperform several other new technologies. Furthermore, we indicate how the performance of the GAP can still be improved by further exploiting its non-equilibrium character. Hence, it is clear that the GAP is very promising for CO2 conversion.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000403934400014 Publication Date 2017-05-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 42 Open Access OpenAccess
  Notes Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek, G.0383.16N 11U5316N ; Horizon 2020, 657304 ; Approved Most recent IF: 7.226
  Call Number PLASMANT @ plasmant @ c:irua:144184 Serial 4616
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Author Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A.
  Title Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry Type A1 Journal article
  Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume (down) 10 Issue 20 Pages 4025-4036
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for

the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000413565100012 Publication Date 2017-10-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 23 Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid; Approved Most recent IF: 7.226
  Call Number PLASMANT @ plasmant @c:irua:146665 Serial 4759
Permanent link to this record
 

 
Author Kertik, A.; Wee, L.H.; Pfannmöller, M.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
  Title Highly selective gas separation membrane using in situ amorphised metal-organic frameworks Type A1 Journal article
  Year 2017 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci
  Volume (down) 10 Issue 10 Pages 2342-2351
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Conventional carbon dioxide (CO2) separation in the petrochemical industry via cryogenic distillation is energy intensive and environmentally unfriendly. Alternatively, polymer membrane-based separations are of significant interest owing to low production cost, low-energy consumption and ease of upscaling. However, the implementation of commercial polymeric membranes is limited by their permeability and selectivity trade-off and the insufficient thermal and chemical stability. Herein, a novel type of amorphous mixed matrix membrane (MMM) able to separate CO2/CH4 mixtures with the highest selectivities ever reported for MOF based MMMs is presented. The MMM consists of an amorphised metal-organic framework (MOF) dispersed in an oxidatively cross-linked matrix achieved by fine tuning of the thermal treatment temperature in air up to 350 degrees C which drastically boosts the separation properties of the MMM. Thanks to the protection of the surrounding polymer, full oxidation of this MOF (i.e. ZIF-8) is prevented, and amorphisation of the MOF is realized instead, thus in situ creating a molecular sieve network. In addition, the treatment also improves the filler-polymer adhesion and induces an oxidative cross-linking of the polyimide matrix, resulting in MMMs with increased stability or plasticization resistance at high pressure up to 40 bar, marking a new milestone as new molecular sieve MOF MMMs for challenging natural gas purification applications. A new field for the use of amorphised MOFs and a variety of separation opportunities for such MMMs are thus opened.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414774500007 Publication Date 2017-08-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 29.518 Times cited 122 Open Access OpenAccess
  Notes ; A.K. acknowledges financial support from the Erasmus-Mundus Doctorate in Membrane Engineering (EUDIME) Programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N). M. P. acknowledges financial support by the FP7 European project SUNFLOWER (FP7 #287594). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J. A. M. gratefully acknowledges financial supports from the Flemish Government for long-term Methusalem funding. J. A. M. and I. F. J. V. acknowledge the Belgian Government for IAP-PAI networking. A. K. would also like to thank Frank Mathijs for the mechanical tests, Roy Bernstein for the XPS analysis and Lien Telen and Bart Goderis for the DSC measurements. We thank Verder Scientific Benelux for providing the service of ZIF-8 ball milling. ; ecas_sara Approved Most recent IF: 29.518
  Call Number UA @ lucian @ c:irua:147399UA @ admin @ c:irua:147399 Serial 4879
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Author Pramanik, G.; Humpolickova, J.; Valenta, J.; Kundu, P.; Bals, S.; Bour, P.; Dracinsky, M.; Cigler, P.
  Title Gold nanoclusters with bright near-infrared photoluminescence Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (down) 10 Issue 10 Pages 3792-3798
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The increase in nonradiative pathways with decreasing emission energy reduces the luminescence quantum yield (QY) of near-infrared photoluminescent (NIR PL) metal nanoclusters. Efficient surface ligand chemistry can significantly improve the luminescence QY of NIR PL metal nanoclusters. In contrast to the widely reported but modestly effective thiolate ligand-to-metal core charge transfer, we show that metal-to-ligand charge transfer (MLCT) can be used to greatly enhance the luminescence QY of NIR PL gold nanoclusters (AuNCs). We synthesized water-soluble and colloidally stable NIR PL AuNCs with unprecedentedly high QY (similar to 25%) upon introduction of triphenylphosphonium moieties into the surface capping layer. By using a combination of spectroscopic and theoretical methods, we provide evidence for gold core-to-ligand charge transfer occurring in AuNCs. We envision that this work can stimulate the development of these unusually bright AuNCs for promising optoelectronic, bioimaging, and other applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000426148500026 Publication Date 2018-01-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 97 Open Access OpenAccess
  Notes ; The authors acknowledge support from the GACR project Nr. 18-12533S. J. V. acknowledges funding from the Ministry of Education, Youth and Sports of the Czech Republic via the V4+Japan project No. 8F15001 (cofinanced by the International Visegrad Fund). P. B. acknowledges GACR project No. 16-05935S and Ministry of Education, Youth and Sports of the Czech Republic project No. LTC17012. ; Approved Most recent IF: 7.367
  Call Number UA @ lucian @ c:irua:149901UA @ admin @ c:irua:149901 Serial 4935
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Author Lombardo, J.; Jelić, Ž.L.; Baumans, X.D.A.; Scheerder, J.E.; Nacenta, J.P.; Moshchalkov, V.V.; Van de Vondel, J.; Kramer, R.B.G.; Milošević, M.V.; Silhanek, A.V.
  Title In situ tailoring of superconducting junctions via electro-annealing Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (down) 10 Issue 4 Pages 1987-1996
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We demonstrate the in situ engineering of superconducting nanocircuitry by targeted modulation of material properties through high applied current densities. We show that the sequential repetition of such customized electro-annealing in a niobium (Nb) nanoconstriction can broadly tune the superconducting critical temperature T-c and the normal-state resistance R-n in the targeted area. Once a sizable R-n is reached, clear magneto-resistance oscillations are detected along with a Fraunhofer-like field dependence of the critical current, indicating the formation of a weak link but with further adjustable characteristics. Advanced Ginzburg-Landau simulations fully corroborate this picture, employing the detailed parametrization from the electrical characterization and high resolution electron microscope images of the region within the constriction where the material has undergone amorphization by electro-annealing.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000423355300049 Publication Date 2017-12-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 23 Open Access
  Notes ; The authors thank the Fonds de la Recherche Scientifique – FNRS, the ARC grant 13/18-08 for Concerted Research Actions, financed by the French Community of Belgium (Wallonia-Brussels Federation), the Research Foundation – Flanders (FWO-Vlaanderen) and the COST action NanoCoHybri (CA16218). The work is also suppported by Methusalem Funding by the Flemish Government. J. Lombardo acknowledges support from F. R. S.-FNRS (FRIA Research Fellowship). The LANEF framework (ANR-10-LABX-51-01) and the Nanoscience Foundation are acknowledged for their support with mutualized infrastructure. The work of A. V. Silhanek is partially supported by PDR T.0106.16 of the F. R. S.-FNRS. The authors thank the ULg Microscopy facility CAREM for part of the SEM investigations. ; Approved Most recent IF: 7.367
  Call Number UA @ lucian @ c:irua:149315UA @ admin @ c:irua:149315 Serial 4937
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Author Ben Dkhil, S.; Pfannmöller, M.; Schroeder, R.R.; Alkarsifi, R.; Gaceur, M.; Koentges, W.; Heidari, H.; Bals, S.; Margeat, O.; Ackermann, J.; Videlot-Ackermann, C.
  Title Interplay of interfacial layers and blend composition to reduce thermal degradation of polymer solar cells at high temperature Type A1 Journal article
  Year 2018 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume (down) 10 Issue 10 Pages 3874-3884
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The thermal stability of printed polymer solar cells at elevated temperatures needs to be improved to achieve high-throughput fabrication including annealing steps as well as long-term stability. During device processing, thermal annealing impacts both the organic photoactive layer, and the two interfacial layers make detailed studies of degradation mechanism delicate. A recently identified thermally stable poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b'-dithiopherie-2,6-diyl] [3-fluoro-2-[(2-ethylhexyl) carbonyl] thieno [3,4-b]thiophenediyl]] : [6,6]-phenyl- C-71-butyric acid methyl ester (PTB7:PC70BM) blend as photoactive layer in combination with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as hole extraction layer is used here to focus on the impact of electron extraction layer (EEL) on the thermal stability of solar cells. Solar cells processed with densely packed ZnO nanoparticle layers still show 92% of the initial efficiency after constant annealing during 1 day at 140 degrees C, whereas partially covering ZnO layers as well as an evaporated calcium layer leads to performance losses of up to 30%. This demonstrates that the nature and morphology of EELs highly influence the thermal stability of the device. We extend our study to thermally unstable PTB7:[6,6]-phenyl-C-61-butyric acid methyl ester (PC60BM) blends to highlight the impact of ZnO on the device degradation during annealing. Importantly, only 12% loss in photocurrent density is observed after annealing at 140 degrees C during 1 day when using closely packed ZnO. This is in stark contrast to literature and addressed here to the use of a stable double-sided confinement during thermal annealing. The underlying mechanism of the inhibition of photocurrent losses is revealed by electron microscopy imaging and spatially resolved spectroscopy. We found that the double-sided confinement suppresses extensive fullerene diffusion during the annealing step, but with still an increase in size and distance of the enriched donor and acceptor domains inside the photoactive layer by an average factor of 5. The later result in combination with comparably small photocurrent density losses indicates the existence of an efficient transport of minority charge carriers inside the donor and acceptor enriched phases in PTB7:PC60BM blends.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000424728800082 Publication Date 2018-01-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited 9 Open Access OpenAccess
  Notes ; We acknowledge the financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract number: 287594). M.P. and R.R.S. acknowledge support by the HeiKA (Heidelberg Karlsruhe Research Partnership) FunTech-3D materials science program. ; Approved Most recent IF: 7.504
  Call Number UA @ lucian @ c:irua:149309UA @ admin @ c:irua:149309 Serial 4939
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Author Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Huehne, R.; Haenisch, J.; Meledin, A.; Van Tendeloo, G.; MacManus-Driscoll, J.L.; Celentano, G.
  Title Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (down) 10 Issue 17 Pages 8187-8195
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000432261400037 Publication Date 2018-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 9 Open Access OpenAccess
  Notes ; This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/ 2007-2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ; Approved Most recent IF: 7.367
  Call Number UA @ lucian @ c:irua:151520 Serial 5038
Permanent link to this record
 

 
Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M.
  Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (down) 10 Issue 17 Pages 8153-8161
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000432261400033 Publication Date 2018-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 28 Open Access
  Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367
  Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040
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Author Zhou, Y.; Che, F.; Liu, M.; Zou, C.; Liang, Z.; De Luna, P.; Yuan, H.; Li, J.; Wang, Z.; Xie, H.; Li, H.; Chen, P.; Bladt, E.; Quintero-Bermudez, R.; Sham, T.-K.; Bals, S.; Hofkens, J.; Sinton, D.; Chen, G.; Sargent, E.H.
  Title Dopant-induced electron localization drives CO2 reduction to C2 hydrocarbons Type A1 Journal article
  Year 2018 Publication Nature chemistry Abbreviated Journal Nat Chem
  Volume (down) 10 Issue 10 Pages 974-980
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The electrochemical reduction of CO2 to multi-carbon products has attracted much attention because it provides an avenue to the synthesis of value-added carbon-based fuels and feedstocks using renewable electricity. Unfortunately, the efficiency of CO2 conversion to C-2 products remains below that necessary for its implementation at scale. Modifying the local electronic structure of copper with positive valence sites has been predicted to boost conversion to C-2 products. Here, we use boron to tune the ratio of Cu delta+ to Cu-0 active sites and improve both stability and C-2-product generation. Simulations show that the ability to tune the average oxidation state of copper enables control over CO adsorption and dimerization, and makes it possible to implement a preference for the electrosynthesis of C-2 products. We report experimentally a C-2 Faradaic efficiency of 79 +/- 2% on boron-doped copper catalysts and further show that boron doping leads to catalysts that are stable for in excess of similar to 40 hours while electrochemically reducing CO2 to multi-carbon hydrocarbons.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000442395200013 Publication Date 2018-07-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1755-4330; 1755-4349 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 25.87 Times cited 700 Open Access OpenAccess
  Notes ; This work was supported financially by funding from TOTAL S.A., the Ontario Research Fund: Research Excellence Program, the Natural Sciences and Engineering Research Council of Canada, the CIFAR Bio-Inspired Solar Energy programme, a University of Toronto Connaught grant, the Ministry of Science, Natural Science Foundation of China (21471040, 21271055 and 21501035), the Innovation-Driven Plan in Central South University project (2017CX003), a project from State Key Laboratory of Powder Metallurgy in Central South University, the Thousand Youth Talents Plan of China and Hundred Youth Talents Program of Hunan and the China Scholarship Council programme. This work benefited from the soft X-ray microcharacterization beamline at CLS, sector 20BM at the APS and the Ontario Centre for the Characterisation of Advanced Materials at the University of Toronto. H.Y. acknowledges financial support from the Research Foundation-Flanders (FWO postdoctoral fellowship). C.Z. acknowledges support from the International Academic Exchange Fund for Joint PhD Students from Tianjin University. P.D.L. acknowledges financial support from the Natural Sciences and Engineering Research Council in the form of the Canada Graduate Scholarship-Doctoral award. S.B. and E.B. acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). The authors thank B. Zhang, N. Wang, C. T. Dinh, T. Zhuang, J. Li and Y. Zhao for fruitful discussions, as well as Y. Hu and Q. Xiao from CLS, and Z. Finfrock and M. Ward from APS for their help during the course of study. Computations were performed on the SOSCIP Consortium's Blue Gene/Q computing platform. SOSCIP is funded by the Federal Economic Development Agency of Southern Ontario, the Province of Ontario, IBM Canada, Ontario Centres of Excellence, Mitacs and 15 Ontario academic member institutions. ; ecas_sara Approved Most recent IF: 25.87
  Call Number UA @ lucian @ c:irua:153693UA @ admin @ c:irua:153693 Serial 5091
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Author Vanrompay, H.; Bladt, E.; Albrecht, W.; Béché, A.; Zakhozheva, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S.
  Title 3D characterization of heat-induced morphological changes of Au nanostars by fast in situ electron tomography Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (down) 10 Issue 10 Pages 22792-22801
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A thorough understanding of the thermal stability and potential reshaping of anisotropic gold nanostars is required for various potential applications. Combination of a tomographic heating holder with fast tilt series acquisition has been used to monitor temperature-induced morphological changes of Au nanostars. The outcome of our 3D investigations can be used as an input for boundary element method simulations, enabling us to investigate the influence of reshaping on the nanostars’ plasmonic properties. Our work leads to a better understanding of the mechanism behind thermal reshaping. In addition, the approach presented here is generic and can hence be applied to a wide variety of nanoparticles made of different materials and with arbitrary morphology.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000453248100010 Publication Date 2018-11-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 55 Open Access OpenAccess
  Notes H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. The authors acknowledge funding from European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M. and M.Z. and MUMMERING 765604 to S.B. and M.Z.). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS).; Ecas_sara Approved Most recent IF: 7.367
  Call Number EMAT @ emat @c:irua:155718UA @ admin @ c:irua:155718 Serial 5071
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Author Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C.
  Title Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett
  Volume (down) 10 Issue 4 Pages 727-734
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000459948800005 Publication Date 2019-01-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.353 Times cited 88 Open Access
  Notes ; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ; Approved Most recent IF: 9.353
  Call Number UA @ admin @ c:irua:158618 Serial 5194
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Author Becker, M.; Guzzinati, G.; Béché, A.; Verbeeck, J.; Batelaan, H.
  Title Asymmetry and non-dispersivity in the Aharonov-Bohm effect Type A1 Journal article
  Year 2019 Publication Nature communications Abbreviated Journal Nat Commun
  Volume (down) 10 Issue 10 Pages 1700
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Decades ago, Aharonov and Bohm showed that electrons are affected by electromagnetic potentials in the absence of forces due to fields. Zeilinger's theorem describes this absence of classical force in quantum terms as the “dispersionless” nature of the Aharonov-Bohm effect. Shelankov predicted the presence of a quantum “force” for the same Aharonov-Bohm physical system as elucidated by Berry. Here, we report an experiment designed to test Shelankov's prediction and we provide a theoretical analysis that is intended to elucidate the relation between Shelankov's prediction and Zeilinger's theorem. The experiment consists of the Aharonov-Bohm physical system; free electrons pass a magnetized nanorod and far-field electron diffraction is observed. The diffraction pattern is asymmetric confirming one of Shelankov's predictions and giving indirect experimental evidence for the presence of a quantum “force”. Our theoretical analysis shows that Zeilinger's theorem and Shelankov's result are both special cases of one theorem.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000464338100011 Publication Date 2019-04-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 12 Open Access OpenAccess
  Notes ; H.B. would like to thank Michael Berry for bringing the presence of a quantum “force” to our attention. A.B., G.G. and J.V. acknowledge support from the European Research Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX. G.G. acknowledges support from the Fonds Wetenschappelijk Onderzoek -Vlaanderen (FWO). M.B. and H.B. acknowledge support by the U.S. National Science Foundation under Grant No. 1602755. ; Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:159341 Serial 5241
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Author Van Velthoven, N.; Waitschat, S.; Chavan, S.M.; Liu, P.; Smolders, S.; Vercammen, J.; Bueken, B.; Bals, S.; Lillerud, K.P.; Stock, N.; De Vos, D.E.
  Title Single-site metal-organic framework catalysts for the oxidative coupling of arenes via C-H/C-H activation Type A1 Journal article
  Year 2019 Publication Chemical science Abbreviated Journal Chem Sci
  Volume (down) 10 Issue 10 Pages 3616-3622
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract C-H activation reactions are generally associated with relatively low turnover numbers (TONs) and high catalyst concentrations due to a combination of low catalyst stability and activity, highlighting the need for recyclable heterogeneous catalysts with stable single-atom active sites. In this work, several palladium loaded metal-organic frameworks (MOFs) were tested as single-site catalysts for the oxidative coupling of arenes (e.g. o-xylene) via C-H/C-H activation. Isolation of the palladium active sites on the MOF supports reduced Pd(0) aggregate formation and thus catalyst deactivation, resulting in higher turnover numbers (TONs) compared to the homogeneous benchmark reaction. Notably, a threefold higher TON could be achieved for palladium loaded MOF-808 due to increased catalyst stability and the heterogeneous catalyst could efficiently be reused, resulting in a cumulative TON of 1218 after three runs. Additionally, the palladium single-atom active sites on MOF-808 were successfully identified by Fourier transform infrared (FTIR) and extended X-ray absorption fine structure (EXAFS) spectroscopy.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000463759100017 Publication Date 2019-02-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.668 Times cited 68 Open Access OpenAccess
  Notes ; The research leading to these results has received funding from the NMBP-01-2016 Program of the European Union's Horizon 2020 Framework Program H2020/2014-2020/under grant agreement no. [720996]. N. V. V., S. S., J. V., B. B. and D. E. D. V. thank the FWO for funding (SB, Aspirant and postdoctoral grants). The electron microscopy work was supported by FWO funding G038116. D. E. D. V. is grateful for KU Leuven support in the frame of the CASAS Metusalem project and a C3 type project. The XAS experiments were performed on beamline BM26A at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. We are grateful to D. Banerjee at the ESRF for providing assistance in using beamline BM26A. Johnson Matthey and S. Bennett are gratefully acknowledged for providing Smopex-102. ; Approved Most recent IF: 8.668
  Call Number UA @ admin @ c:irua:159403 Serial 5259
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