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Author Lutz, L.; Corte, D.A.D.; Chen, Y.; Batuk, D.; Johnson, L.R.; Abakumov, A.; Yate, L.; Azaceta, E.; Bruce, P.G.; Tarascon, J.-M.; Grimaud, A. pdf  doi
openurl 
  Title The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2 Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater  
  Volume 8 Issue 4 Pages 1701581  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.  
  Address  
  Corporate Author Thesis  
  Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication (down) Weinheim Editor  
  Language Wos 000424152200009 Publication Date 2017-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.721 Times cited 13 Open Access Not_Open_Access  
  Notes ; L.L. thanks ALISTORE-ERI for his PhD grant. P.G.B. is indebted to the EPSRC for financial support, including the Supergen Energy Storage grant. ; Approved Most recent IF: 16.721  
  Call Number UA @ lucian @ c:irua:149269 Serial 4951  
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Author Dimitrievska, M.; Shea, P.; Kweon, K.E.; Bercx, M.; Varley, J.B.; Tang, W.S.; Skripov, A.V.; Stavila, V.; Udovic, T.J.; Wood, B.C. pdf  url
doi  openurl
  Title Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater  
  Volume 8 Issue 15 Pages 1703422  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The disordered phases of LiCB11H12 and NaCB11H12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB11H12- anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB11H12- also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10(10) s(-1), suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB11H12- salts compared with B12H122-.  
  Address  
  Corporate Author Thesis  
  Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication (down) Weinheim Editor  
  Language Wos 000434031400026 Publication Date 2018-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.721 Times cited 20 Open Access OpenAccess  
  Notes ; This work was performed in part under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and funded by Laboratory Directed Research and Development Grant 15-ERD-022. Computing support came from the LLNL Institutional Computing Grand Challenge program. This work was also performed in part within the assignment of the Russian Federal Agency of Scientific Organizations (program “Spin” No. 01201463330). The authors gratefully acknowledge support from the Russian Foundation for Basic Research under Grant No. 15-03-01114 and the Ural Branch of the Russian Academy of Sciences under Grant No. 15-9-2-9. A.V.S. gratefully acknowledges travel support from CRDF Global in conjunction with this work under Grant No. FSCX-15-61826-0. M.D. gratefully acknowledges research support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract No. DE-AC36-08GO28308. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249. The views, opinions, findings, and conclusions stated herein are those of the authors and do not necessarily reflect those of CRDF Global, or the United States Government or any agency thereof. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ; Approved Most recent IF: 16.721  
  Call Number UA @ lucian @ c:irua:152045 Serial 5015  
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Author Delmelle, R.; Amin-Ahmadi, B.; Sinnaeve, M.; Idrissi, H.; Pardoen, T.; Schryvers, D.; Proost, J. pdf  url
doi  openurl
  Title Effect of structural defects on the hydriding kinetics of nanocrystalline Pd thin films Type A1 Journal article
  Year 2015 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 40 Issue 40 Pages 7335-7347  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract While the microstructure of a metal is well-known to affect its equilibrium hydrogen uptake and therefore the hydriding thermodynamics, microstructural effects on the hydriding kinetics are much less documented. Moreover, for thin film systems, such microstructural effects are difficult to separate from the internal stress effect, since most defects generate internal stresses. Such a decoupling has been achieved in this paper for nanocrystalline Pd thin film model systems through the use of a high-resolution, in-situ curvature measurement set-up during Pd deposition, annealing and hydriding. This set-up allowed producing Pd thin films with similar internal stress levels but significantly different microstructures. This was evidenced from detailed defect statistics obtained by transmission electron microscopy, which showed that the densities of grain boundaries, dislocations and twin boundaries have all been lowered by annealing. The same set-up was then used to study the hydriding equilibrium and kinetic behaviour of the resulting films at room temperature. A full quantitative analysis of their hydriding cycles showed that the rate constants of both the adsorption- and absorption-limited kinetic regimes were strongly affected by microstructure. Defect engineering was thereby shown to increase the rate constants for hydrogen adsorption and absorption in Pd by a factor 40 and 30, respectively. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Oxford Editor  
  Language Wos 000355884300012 Publication Date 2015-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 13 Open Access  
  Notes Iap 7/21 Approved Most recent IF: 3.582; 2015 IF: 3.313  
  Call Number c:irua:126429 Serial 838  
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Author Pasquini, L.; Sacchi, M.; Brighi, M.; Boelsma, C.; Bals, S.; Perkisas, T.; Dam, B. pdf  doi
openurl 
  Title Hydride destabilization in core-shell nanoparticles Type A1 Journal article
  Year 2014 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 39 Issue 5 Pages 2115-2123  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We present a model that describes the effect of elastic constraint on the thermodynamics of hydrogen absorption and desorption in biphasic core-shell nanoparticles, where the core is a hydride forming metal. In particular, the change of the hydride formation enthalpy and of the equilibrium pressure for the metal/hydride transformation are described as a function of nanoparticles radius, shell thickness, and elastic properties of both core and shell. To test the model, the hydrogen sorption isotherms of Mg-MgO core-shell nanoparticles, synthesized by inert gas condensation, were measured by means of optical hydrogenography. The model's predictions are in good agreement with the experimentally determined plateau pressure of hydrogen absorption. The features that a core-shell systems should exhibit in view of practical hydrogen storage applications are discussed with reference to the model and the experimental results. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Oxford Editor  
  Language Wos 000331344800022 Publication Date 2014-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 32 Open Access Not_Open_Access  
  Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313  
  Call Number UA @ lucian @ c:irua:115785 Serial 1528  
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Author Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A. pdf  doi
openurl 
  Title Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 Type A1 Journal article
  Year 2013 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 38 Issue 36 Pages 16098-16120  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Oxford Editor  
  Language Wos 000327904500027 Publication Date 2013-10-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 40 Open Access  
  Notes Approved Most recent IF: 3.582; 2013 IF: 2.930  
  Call Number UA @ lucian @ c:irua:111372 Serial 1642  
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Author Simon, Q.; Barreca, D.; Bekermann, D.; Gasparotto, A.; Maccato, C.; Comini, E.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Devi, A.; Fischer, R.A.; Van Tendeloo, G. pdf  doi
openurl 
  Title Plasma-assisted synthesis of Ag/ZnO nanocomposites : first example of photo-induced H2 production and sensing Type A1 Journal article
  Year 2011 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 36 Issue 24 Pages 15527-15537  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Ag/ZnO nanocomposites were developed by a plasma-assisted approach. The adopted strategy exploits the advantages of Plasma Enhanced-Chemical Vapor Deposition (PE-CVD) for the growth of columnar ZnO arrays on Si(100) and Al2O3 substrates, in synergy with the infiltration power of the Radio Frequency (RF)-sputtering technique for the subsequent dispersion of different amounts of Ag nanoparticles (NPs). The resulting composites, both as-prepared and after annealing in air, were thoroughly characterized with particular attention on their morphological organization, structure and composition. For the first time, the above systems have been used as catalysts in the production of hydrogen by photo-reforming of alcoholic solutions, yielding a stable H2 evolution even by the sole use of simulated solar radiation. In addition, Ag/ZnO nanocomposites presented an excellent response in the gas-phase detection of H2, opening attractive perspectives for advanced technological applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Oxford Editor  
  Language Wos 000297089700006 Publication Date 2011-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 62 Open Access  
  Notes Esteem 026019; Fwo Approved Most recent IF: 3.582; 2011 IF: 4.054  
  Call Number UA @ lucian @ c:irua:91901 Serial 2627  
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Author Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B. pdf  doi
openurl 
  Title The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers Type A1 Journal article
  Year 2014 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 39 Issue 30 Pages 17092-17103  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Oxford Editor  
  Language Wos 000343839000031 Publication Date 2014-09-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 15 Open Access Not_Open_Access  
  Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313  
  Call Number UA @ lucian @ c:irua:121175 Serial 3575  
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Author Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A. doi  openurl
  Title Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 Type A1 Journal article
  Year 2016 Publication International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND Abbreviated Journal Int J Hydrogen Energ  
  Volume 41 Issue 41 Pages 14404-14428  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Pergamon-elsevier science ltd Place of Publication (down) Oxford Editor  
  Language Wos 000381950800051 Publication Date 2016-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 89 Open Access Not_Open_Access  
  Notes All the authors greatly thank the COST Action MP1103 for financial support. Approved Most recent IF: 3.582  
  Call Number UA @ lucian @ c:irua:135723 Serial 4307  
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Author Reynaud, M.; Rousse, G.; Abakumov, A.M.; Sougrati, M.T.; Van Tendeloo, G.; Chotard, J.-N.; Tarascon, J.-M. doi  openurl
  Title Design of new electrode materials for Li-ion and Na-ion batteries from the bloedite mineral Na2Mg(SO4)2\cdot4H2O Type A1 Journal article
  Year 2014 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 2 Issue 8 Pages 2671-2680  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Mineralogy offers a large database to search for Li- or Na-based compounds having suitable structural features for acting as electrode materials, LiFePO4 being one example. Here we further explore this avenue and report on the electrochemical properties of the bloedite type compounds Na2M(SO4)(2)center dot 4H(2)O (M = Mg, Fe, Co, Ni, Zn) and their dehydrated phases Na2M(SO4)(2) (M = Fe, Co), whose structures have been solved via complementary synchrotron X-ray diffraction, neutron powder diffraction and transmission electron microscopy. Among these compounds, the hydrated and anhydrous iron-based phases show electrochemical activity with the reversible release/uptake of 1 Na+ or 1 Li+ at high voltages of similar to 3.3 V vs. Na+/Na-0 and similar to 3.6 V vs. Li+/Li-0, respectively. Although the reversible capacities remain lower than 100 mA h g(-1), we hope this work will stress further the importance of mineralogy as a source of inspiration for designing eco-efficient electrode materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000331247500031 Publication Date 2013-11-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 56 Open Access  
  Notes Approved Most recent IF: 8.867; 2014 IF: 7.443  
  Call Number UA @ lucian @ c:irua:115807 Serial 659  
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Author Deng, S.; Kurttepeli, M.; Cott, D.J.; Bals, S.; Detavernier, C. pdf  url
doi  openurl
  Title Porous nanostructured metal oxides synthesized through atomic layer deposition on a carbonaceous template followed by calcination Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 2642-2649  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar cells. Various approaches have so far been investigated to synthesize porous nanostructured metal oxides, including self-assembly and template-assisted synthesis. For the latter approach, forests of carbon nanotubes are considered as particularly promising templates, with respect to their one-dimensional nature and the resulting high surface area. In this work, we systematically investigate the formation of porous metal oxides (Al2O3, TiO2, V2O5 and ZnO) with different morphologies using atomic layer deposition on multi-walled carbon nanotubes followed by post-deposition calcination. X-ray diffraction, scanning electron microscopy accompanied by X-ray energy dispersive spectroscopy and transmission electron microscopy were used for the investigation of morphological and structural transitions at the micro- and nano-scale during the calcination process. The crystallization temperature and the surface coverage of the metal oxides and the oxidation temperature of the carbon nanotubes were found to produce significant influence on the final morphology.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000348990500019 Publication Date 2014-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 23 Open Access OpenAccess  
  Notes Fwo; 239865 Cocoon; 335078 Colouratoms; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number c:irua:125298 Serial 2673  
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Author Neubert, S.; Mitoraj, D.; Shevlin, S.A.; Pulisova, P.; Heimann, M.; Du, Y.; Goh, G.K.L.; Pacia, M.; Kruczała, K.; Turner, S.; Macyk, W.; Guo, Z.X.; Hocking, R.K.; Beranek, R.; url  doi
openurl 
  Title Highly efficient rutile TiO2 photocatalysts with single Cu(II) and Fe(III) surface catalytic sites Type A1 Journal article
  Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 4 Issue 4 Pages 3127-3138  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Highly active photocatalysts were obtained by impregnation of nanocrystalline rutile TiO2 powders with small amounts of Cu(II) and Fe(III) ions, resulting in the enhancement of initial rates of photocatalytic degradation of 4-chlorophenol in water by factors of 7 and 4, compared to pristine rutile, respectively. Detailed structural analysis by EPR and X-ray absorption spectroscopy (EXAFS) revealed that Cu(II) and Fe(III) are present as single species on the rutile surface. The mechanism of the photoactivity enhancement was elucidated by a combination of DFT calculations and detailed experimental mechanistic studies including photoluminescence measurements, photocatalytic experiments using scavengers, OH radical detection, and photopotential transient measurements. The results demonstrate that the single Cu(II) and Fe(III) ions act as effective cocatalytic sites, enhancing the charge separation, catalyzing “dark” redox reactions at the interface, thus improving the normally very low quantum yields of UV light-activated TiO2 photocatalysts. The exact mechanism of the photoactivity enhancement differs depending on the nature of the cocatalyst. Cu(II)-decorated samples exhibit fast transfer of photogenerated electrons to Cu(II/I) sites, followed by enhanced catalysis of dioxygen reduction, resulting in improved charge separation and higher photocatalytic degradation rates. At Fe(III)-modified rutile the rate of dioxygen reduction is not improved and the photocatalytic enhancement is attributed to higher production of highly oxidizing hydroxyl radicals produced by alternative oxygen reduction pathways opened by the presence of catalytic Fe(III/II) sites. Importantly, it was demonstrated that excessive heat treatment (at 450 degrees C) of photocatalysts leads to loss of activity due to migration of Cu(II) and Fe(III) ions from TiO2 surface to the bulk, accompanied by formation of oxygen vacancies. The demonstrated variety of mechanisms of photoactivity enhancement at single site catalyst-modified photocatalysts holds promise for developing further tailored photocatalysts for various applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000371077300040 Publication Date 2015-12-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 44 Open Access  
  Notes Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:132322 Serial 4191  
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Author Lander, L.; Rousse, G.; Abakumov, A.M.; Sougrati, M.; Van Tendeloo, G.; Tarascon, J.-M. url  doi
openurl 
  Title Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 19754-19764  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000362041300018 Publication Date 2015-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 11 Open Access  
  Notes Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number UA @ lucian @ c:irua:132566 Serial 4253  
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Author Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J. pdf  doi
openurl 
  Title PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation Type A1 Journal article
  Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 4 Issue 4 Pages 12790-12798  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000382015100012 Publication Date 2016-07-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 26 Open Access  
  Notes Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:137188 Serial 4395  
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Author Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M. url  doi
openurl 
  Title Large CO2 uptake on a monolayer of CaO Type A1 Journal article
  Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 5 Issue 5 Pages 2110-2114  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000395074300035 Publication Date 2016-12-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:142034 Serial 4556  
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Author Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M. doi  openurl
  Title Mo2C as a high capacity anode material: a first-principles study Type A1 Journal article
  Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 4 Issue 16 Pages 6029-6035  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000374790700033 Publication Date 2016-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 202 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:144763 Serial 4669  
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Author Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J. doi  openurl
  Title Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation Type A1 Journal article
  Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 5 Issue 5 Pages 1005-1013  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000394430800018 Publication Date 2016-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 19 Open Access Not_Open_Access  
  Notes ; We acknowledge 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, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602 Serial 4695  
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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. pdf  doi
openurl 
  Title MXenes/graphene heterostructures for Li battery applications : a first principles study Type A1 Journal article
  Year 2018 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 6 Issue 5 Pages 2337-2345  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Cambridge Editor  
  Language Wos 000423981200049 Publication Date 2018-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 131 Open Access  
  Notes ; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 Serial 4945  
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Author Tikhomirov, V.K.; Rodríguez, V.D.; Méndez-Ramos, J.; del- Castillo, J.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. pdf  doi
openurl 
  Title Optimizing Er/Yb ratio and content in Er-Yb co-doped glass-ceramics for enhancement of the up- and down-conversion luminescence Type A1 Journal article
  Year 2012 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 100 Issue Pages 209-215  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Er3+Yb3+ co-doped transparent glass-ceramics with varying Er/Yb content and ratio have been prepared. High quantum yields for up- and down-conversion luminescence by energy transfer from Yb3+ to Er3+ and from Er3+ to Yb3+, respectively, have been detected and optimized with respect to the Er/Yb content and ratio, and proposed in particular for up- and down-conversion of solar spectrum for enhancement of the efficiency of solar cells. The rise and decay kinetics for the population of the excited levels of Er3+ and Yb3+ have been studied and fit. Based on these experimental data, the mechanisms for the energy transfers have been suggested with emphasis on the optimized Er/Yb content and ratio for enhancement of the efficiency of the Er3+↔Yb3+ energy transfers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Amsterdam Editor  
  Language Wos 000303034700030 Publication Date 2012-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 66 Open Access  
  Notes Fwo Approved Most recent IF: 4.784; 2012 IF: 4.630  
  Call Number UA @ lucian @ c:irua:97392 Serial 2493  
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Author Gaouyat, L.; He, Z.; Colomer, J.-F.; Lambin, P.; Mirabella, F.; Schryvers, D.; Deparis, O. pdf  doi
openurl 
  Title Revealing the innermost nanostructure of sputtered NiCrOx solar absorber cermets Type A1 Journal article
  Year 2014 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 122 Issue Pages 303-308  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Conversion of solar energy into thermal energy helps reducing consumption of non-renewable energies. Cermets (ceramicmetal composites) are versatile materials suitable, amongst other applications, for solar selective absorbers. Although the presence of metallic Ni particles in the dielectric matrix is a prerequisite for efficient solar selective absorption in NiCrOx cermets, no clear evidence of such particles is reported so far. By combining comprehensive chemical and structural analyses, we reveal the presumed nanostructure which is at the origin of the remarkable optical properties of this cermet material. Using sputtered NiCrOx layers in a solar absorber multilayer stack on aluminium substrate allows us to achieve solar absorptance as high as α=96.1% while keeping thermal emissivity as low as ε=2.2%, both values being comparable to best values recorded so far. With the nanostructure of sputtered NiCrOx cermets eventually revealed, further optimization of solar absorbers can be anticipated and technological exploitation of cermet materials in other applications can be foreseen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Amsterdam Editor  
  Language Wos 000331494200040 Publication Date 2013-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 12 Open Access  
  Notes Approved Most recent IF: 4.784; 2014 IF: 5.337  
  Call Number UA @ lucian @ c:irua:113086 Serial 2902  
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Author Berdiyorov, G.R.; Madjet, M.E.; El-Mellouhi, F.; Peeters, F.M. pdf  doi
openurl 
  Title Effect of crystal structure on the electronic transport properties of the organometallic perovskite CH3NH3PbI3 Type A1 Journal article
  Year 2016 Publication Solar energy materials and solar cells T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO Abbreviated Journal Sol Energ Mat Sol C  
  Volume 148 Issue 148 Pages 60-66  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of the crystal lattice structure of organometallic perovskite CH3NH3PbI3 on its electronic transport properties. Both dispersive interactions and spin-orbit coupling are taken into account in describing structural and electronic properties of the system. We consider two different phases of the material, namely the orthorhombic and cubic lattice structures, which are energetically stable at low (< 160 K) and high (> 330 K) temperatures, respectively. The sizable geometrical differences between the two structures in term of lattice parameters, PbI6 octahedral tilts, rotation and deformations, have considerable impact on the transport properties of the material. For example, at zero bias and for all considered electron energies, the cubic phase has a larger transmission than the orthorhombic one, although both show similar electronic densities of states. Depending on the applied voltage, the current in the cubic system can be several orders of magnitude larger as compared to the one obtained for the orthorhombic sample. We attribute this enhancement in the transmission to the presence of extended states in the cubic phase due to the symmetrically shaped and ordered PbI6 octaherdra. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science bv Place of Publication (down) Amsterdam Editor  
  Language Wos 000371944500011 Publication Date 2015-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 16 Open Access  
  Notes ; ; Approved Most recent IF: 4.784  
  Call Number UA @ lucian @ c:irua:133151 Serial 4163  
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Author Berdiyorov, G.R.; El-Mellouhi, F.; Madjet, M.E.; Alharbi, F.H.; Peeters, F.M.; Kais, S. pdf  doi
openurl 
  Title Effect of halide-mixing on the electronic transport properties of organometallic perovskites Type A1 Journal article
  Year 2016 Publication Solar energy materials and solar cells T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO Abbreviated Journal Sol Energ Mat Sol C  
  Volume 148 Issue 148 Pages 2-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science bv Place of Publication (down) Amsterdam Editor  
  Language Wos 000371944500002 Publication Date 2015-12-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 23 Open Access  
  Notes ; ; Approved Most recent IF: 4.784  
  Call Number UA @ lucian @ c:irua:133150 Serial 4165  
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Author D'Olieslaeger, L.; Pfannmöller, M.; Fron, E.; Cardinaletti, I.; Van der Auweraer, M.; Van Tendeloo, G.; Bals, S.; Maes, W.; Vanderzande, D.; Manca, J.; Ethirajan, A. pdf  url
doi  openurl
  Title Tuning of PCDTBT : PC71BM blend nanoparticles for eco-friendly processing of polymer solar cells Type A1 Journal article
  Year 2017 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 159 Issue 159 Pages 179-188  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We report the controlled preparation of water processable nanoparticles (NPs) employing the push-pull polymer PCDTBT and the fullerene acceptor PC71BM in order to enable solar cell processing using eco-friendly solvent (i.e. water). The presented method provides the possibility to separate the formation of the active layer blend and the deposition of the active layer into two different processes. For the first time, the benefits of aqueous processability for the high-potential class of push-pull polymers, generally requiring high boiling solvents, are made accessible. With our method we demonstrate excellent control over the blend stoichiometry and efficient mixing. Furthermore, we provide visualization of the nano morphology of the different NPs to obtain structural information down to similar to 2 nm resolution using advanced analytical electron microscopy. The imaging directly reveals very small compositional demixing in the PCDTBT:PC71BM blend NPs, in the size range of about <5 nm, indicating fine mixing at the molecular level. The suitability of the proposed methodology and materials towards the aspects of eco-friendly processing of organic solar cells is demonstrated through a processing of lab scale NPs solar cell prototypes reaching a power conversion efficiency of 1.9%. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Amsterdam Editor  
  Language Wos 000388053600021 Publication Date 2016-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 32 Open Access OpenAccess  
  Notes ; This work was supported by BOF funding of Hasselt University, the Interreg project Organext, and the IAP 7/05 project FS2 (Functional Supramolecular Systems), granted by the Science Policy Office of the Belgian Federal Government (BELSPO). A.E. is a post-doctoral fellow of the Flanders Research Foundation (FWO). M.P. gratefully acknowledges the SIM NanoForce program for financial support. S.B. further acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors are thankful for technical support by J. Smits, T. Vangerven, and J. Baccus. ; ecas_sara Approved Most recent IF: 4.784  
  Call Number UA @ lucian @ c:irua:139157UA @ admin @ c:irua:139157 Serial 4450  
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Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A. pdf  url
doi  openurl
  Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 19884-19891  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000362041300033 Publication Date 2015-08-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 9 Open Access  
  Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number c:irua:132567 Serial 3959  
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Author Zalfani, M.; van der Schueren, B.; Hu, Z.-Y.; Rooke, J.C.; Bourguiga, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Su, B.-L. pdf  url
doi  openurl
  Title Novel 3DOM BiVO4/TiO2nanocomposites for highly enhanced photocatalytic activity Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 21244-21256  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Novel 3DOM BiVO4/TiO2 nanocomposites with intimate contact were for the first time synthesized by a hydrothermal method in order to elucidate their visible-light-driven photocatalytic performances. BiVO4 nanoparticles and 3DOM TiO2 inverse opal were fabricated respectively. These materials were characterized by XRD, XPS, SEM, TEM, N2 adsorption–desorption and UV-vis diffuse (UV-vis) and photoluminescence spectroscopies. As references for comparison, a physical mixture of BiVO4 nanoparticles and 3DOM TiO2 inverse opal powder (0.08 : 1), and a BiVO4/P25 TiO2 (0.08 : 1) nanocomposite made also by the hydrothermal method were prepared. The photocatalytic performance of all the prepared materials was evaluated by the degradation of rhodamine B (RhB) as a model pollutant molecule under visible light irradiation. The highly ordered 3D macroporous inverse opal structure can provide more active surface areas and increased mass transfer because of its highly accessible 3D porosity. The results show that 3DOM BiVO4/TiO2 nanocomposites possess a highly prolonged lifetime and increased separation of visible light generated charges and extraordinarily high photocatalytic activity. Owing to the intimate contact between BiVO4 and large surface area 3DOM TiO2, the photogenerated high energy charges can be easily transferred from BiVO4 to the 3DOM TiO2 support. BiVO4 nanoparticles in the 3DOM TiO2 inverse opal structure act thus as a sensitizer to absorb visible light and to transfer efficiently high energy electrons to TiO2 to ensure long lifetime of the photogenerated charges and keep them well separated, owing to the direct band gap of BiVO4 of 2.4 eV, favourably positioned band edges, very low recombination rate of electron–hole pairs and stability when coupled with photocatalysts, explaining the extraordinarily high photocatalytic performance of 3DOM BiVO4/TiO2 nanocomposites. It is found that larger the amount of BiVO4 in the nanocomposite, longer the duration of photogenerated charge separation and higher the photocatalytic activity. This work can shed light on the development of novel visible light responsive nanomaterials for efficient solar energy utilisation by the intimate combination of an inorganic light sensitizing nanoparticle with an inverse opal structure with high diffusion efficiency and high accessible surface area.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000363163200049 Publication Date 2015-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 88 Open Access  
  Notes This work was realized with the financial support of the Belgian FNRS (Fonds National de la Recherche Scientifique). This research used resources of the Electron Microscopy Service located at the University of Namur. This Service is a member of the “Plateforme Technologique Morphologie – Imagerie”. The XPS analyses were made in the LISE, Department of Physics of the University of Namur thanks to Dr P. Louette. This work was also supported by Changjiang Scholars and the Innovative Research Team (IRT1169) of the Ministry of Education of the People's Republic of China. B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Clare Hall Life Membership at the Clare Hall and the financial support of the Department of Chemistry, University of Cambridge. G. Van Tendeloo and Z. Y. Hu acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483).; esteem2_jra4 Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number c:irua:129476 c:irua:129476 Serial 3951  
Permanent link to this record
 

 
Author van Laer, K.; Bogaerts, A. pdf  doi
openurl 
  Title Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor Type A1 Journal article
  Year 2015 Publication Energy technology Abbreviated Journal Energy Technol-Ger  
  Volume 3 Issue 3 Pages 1038-1044  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000362913600006 Publication Date 2015-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2194-4288 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.789 Times cited 59 Open Access  
  Notes This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support Approved Most recent IF: 2.789; 2015 IF: 2.824  
  Call Number c:irua:128224 Serial 3992  
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Author Snoeckx, R.; Heijkers, S.; Van Wesenbeeck, K.; Lenaerts, S.; Bogaerts, A. pdf  url
doi  openurl
  Title CO2conversion in a dielectric barrier discharge plasma: N2in the mix as a helping hand or problematic impurity? Type A1 Journal article
  Year 2016 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci  
  Volume 9 Issue 9 Pages 999-1011  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Carbon dioxide conversion and utilization has gained significant interest over the years. A novel gas conversion technique with great potential in this area is plasma technology. A lot of research has already been performed, but mostly on pure gases. In reality, N2 will always be an important impurity in effluent

gases. Therefore, we performed an extensive combined experimental and computational study on the effect of N2 in the range of 1–98% on CO2 splitting in dielectric barrier discharge (DBD) plasma. The presence of up to 50% N2 in the mixture barely influences the effective (or overall) CO2 conversion and energy efficiency, because the N2 metastable molecules enhance the absolute CO2 conversion, and this compensates for the lower CO2 fraction in the mixture. Higher N2 fractions, however, cause a drop in the CO2 conversion and energy efficiency. Moreover, in the entire CO2/N2 mixing ratio, several harmful compounds, i.e., N2O and NOx compounds, are produced in the range of several 100 ppm. The reaction pathways for the formation of these compounds are explained based on a kinetic analysis, which allows proposing solutions on how to prevent the formation of these harmful compounds.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000372243600030 Publication Date 2015-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.518 Times cited 68 Open Access  
  Notes The authors acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 29.518  
  Call Number c:irua:133169 Serial 4020  
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Author Carraro, G.; Maccato, C.; Gasparotto, A.; Warwick, M.E.A.; Sada, C.; Turner, S.; Bazzo, A.; Andreu, T.; Pliekhova, O.; Korte, D.; Lavrenčič Štangar, U.; Van Tendeloo, G.; Morante, J.R.; Barreca, D. pdf  doi
openurl 
  Title Hematite-based nanocomposites for light-activated applications: Synergistic role of TiO2 and Au introduction Type A1 Journal article
  Year 2017 Publication Solar energy materials and solar cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 159 Issue 159 Pages 456-466  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Photo-activated processes have been widely recognized as cost-effective and environmentally friendly routes for both renewable energy generation and purification/cleaning technologies. We report herein on a plasma- assisted approach for the synthesis of Fe 2 O 3 -TiO 2 nanosystems functionalized with Au nanoparticles. Fe 2 O 3 nanostructures were grown by plasma enhanced-chemical vapor deposition, followed by the sequential sputtering of titanium and gold under controlled conditions, and final annealing in air. The target nanosystems were subjected to a thorough multi-technique characterization, in order to elucidate the interrelations between their chemico-physical properties and the processing conditions. Finally, the functional performances were preliminarily investigated in both sunlight-assisted H 2 O splitting and photocatalytic activity tests in view of self- cleaning applications. The obtained results highlight the possibility of tailoring the system behaviour and candidate the present Fe 2 O 3 -TiO 2 -Au nanosystems as possible multi-functional low-cost platforms for light-activated processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000388053600053 Publication Date 2016-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.784 Times cited 15 Open Access Not_Open_Access  
  Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as from Padova University ex-60% 2013-2016 projects, grant no. CPDR132937/13 (SOLLEONE) and the post-doc fellowship ACTION. INFINITY project in the framework of the EU Erasmus Mundus Action 2 is also acknowledged to provide a Ph.D. financial support as well as Slovenian Research Agency (program P2-0377). The authors are grateful to Dr. E. Toniato (Department of Chemistry, Padova University, Italy) for synthetic assistance and to Prof. E. Bontempi and Dr. M. Brisotto (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 4.784  
  Call Number EMAT @ emat @ c:irua:135833 Serial 4284  
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Author L. Zhang, J. Kim, J. Zhang, F. Nan, N. Gauquelin, G.A. Botton, P. He, R. Bashyam, S. Knights doi  openurl
  Title Ti4O7 supported Ru@Pt core–shell catalyst for CO-tolerance in PEM fuel cell hydrogen oxidation reaction Type A1 Journal Article
  Year 2013 Publication Applied Energy Abbreviated Journal  
  Volume 103 Issue March 2013 Pages 507-513  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract A new method is developed for synthesizing Ti4O7 supported Ru@Pt core–shell catalyst (Ru@Pt/Ti4O7) through pyrolysis followed by microwave irradiation. The purpose is to improve the Ru durability of PtRu from core–shell structure and strong bonding to Ti4O7 oxide. In this method, the first step is to co-reduce the mixture of ruthenium precursor and TiO2 in a H2 reducing atmosphere under heat-treatment to obtain a Ru core on Ti4O7 support, and the second step is to create a shell of platinum via microwave irradiation. Energy dispersive X-ray spectrometry, X-ray Diffraction, High-resolution Scanning Transmission Electron Microscopy with the high-angle annular dark-field method and Electron Energy-Loss Spectroscopy are used to demonstrate that this catalyst with larger particles has a core–shell structure with a Ru core and a Pt shell. Electrochemical measurements show Ru@Pt/Ti4O7 catalyst has a higher CO-tolerance capability than that of PtRu/C alloy catalyst.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000314669500048 Publication Date 2012-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 33 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4547  
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Author Navarrete, A.; Centi, G.; Bogaerts, A.; Mart?n,?ngel; York, A.; Stefanidis, G.D. pdf  url
doi  openurl
  Title Harvesting Renewable Energy for Carbon Dioxide Catalysis Type A1 Journal article
  Year 2017 Publication Energy technology Abbreviated Journal Energy Technol-Ger  
  Volume 5 Issue 5 Pages 796-811  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The use of renewable energy (RE) to transform carbon dioxide into commodities (i.e., CO2 valorization) will pave the way towards a more sustainable economy in the coming years. But how can we efficiently use this energy (mostly available as electricity or solar light) to drive the necessary (catalytic) transformations? This paper presents a review of the technological advances in the transformation of carbon dioxide by means of RE. The socioeconomic implications and chemical basis of the transformation of carbon dioxide with RE are discussed. Then a general view of the use of RE to activate the (catalytic) transformations of carbon dioxide with microwaves, plasmas, and light is presented. The fundamental phenomena involved are introduced from a catalytic and reaction device perspective to present the advantages of this energy form as well as the inherent limitations of the present state-of-the-art. It is shown that efficient use of RE requires the redesign of current catalytic concepts. In this context, a new kind of reaction system, an energy-harvesting device, is proposed as a new conceptual approach for this endeavor. Finally, the challenges that lie ahead for the efficient and economical use of RE for carbon dioxide conversion are exposed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000451619500001 Publication Date 2017-02-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2194-4288 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.789 Times cited 15 Open Access Not_Open_Access  
  Notes Fund for Scientific Research Flanders, G.0254.14 N, G.0217.14 N and G.0383.16 N ; Spanish Ministry of Economy and Competitiveness, ENE2014-53459-R ; Approved Most recent IF: 2.789  
  Call Number PLASMANT @ plasmant @ c:irua:144217 Serial 4615  
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Author Pulinthanathu Sree, S.; Dendooven, J.; Geerts, L.; Ramachandran, R.K.; Javon, E.; Ceyssens, F.; Breynaert, E.; Kirschhock, C.E.A.; Puers, R.; Altantzis, T.; Van Tendeloo, G.; Bals, S.; Detavernier, C.; Martens, J.A. pdf  url
doi  openurl
  Title 3D porous nanostructured platinum prepared using atomic layer deposition Type A1 Journal article
  Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 5 Issue 5 Pages 19007-19016  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A robust and easy to handle 3D porous platinum structure was created via replicating the 3D channel system

of an ordered mesoporous silica material using atomic layer deposition (ALD) over micrometer distances.

After ALD of Pt in the silica material, the host template was digested using hydrogen fluoride (HF). A fully

connected ordered Pt nanostructure was obtained with morphology and sizes corresponding to that of

the pores of the host matrix, as revealed with high-resolution scanning transmission electron

microscopy and electron tomography. The Pt nanostructure consisted of hexagonal Pt rods originating

from the straight mesopores (11 nm) of the host structure and linking features resulting from Pt

replication of the interconnecting mesopore segments (2–4 nm) present in the silica host structure.

Electron tomography of partial replicas, made by incomplete infilling of Zeotile-4 material with Pt,

provided insight in the connectivity and formation mechanism of the Pt nanostructure by ALD. The Pt

replica was evaluated for its potential use as electrocatalyst for the hydrogen evolution reaction, one of

the half-reactions of water electrolysis, and as microelectrode for biomedical sensing. The Pt replica

showed high activity for the hydrogen evolution reaction and electrochemical characterization revealed

a large impedance improvement in comparison with reference Pt electrodes.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (down) Editor  
  Language Wos 000411232100010 Publication Date 2017-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 9 Open Access OpenAccess  
  Notes This work was supported by the Flemish government through long-term structural funding (Methusalem) to JAM and FWO for a research project (G0A5417N). JD, TA and FC acknowledge Flemish FWO for a post-doctoral fellowship. S. B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 8.867  
  Call Number EMAT @ emat @ c:irua:144624 c:irua:144624 c:irua:144624UA @ admin @ c:irua:144624 Serial 4634  
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