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Author | Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M. | ||||
Title | Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 6 | Pages | 1981-1989 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000462950400017 | Publication Date | 2019-02-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | ; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The works at IOPCAS were supported by NSF & MOST of China through research projects. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ admin @ c:irua:159413 | Serial | 5262 | ||
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Author | Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. | ||||
Title | Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 15 | Pages | 5900-5908 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Solar energy plays an important role in solving serious environmental problems and meeting the high energy demand. However, the lack of suitable materials hinders further progress of this technology. Here, we present the largest inorganic solar cell material search till date using density functional theory (DFT) and machine-learning approaches. We calculated the spectroscopic limited maximum efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097 nonmetallic materials and identified 1997 candidates with an SLME higher than 10%, including 934 candidates with a suitable convex-hull stability and an effective carrier mass. Screening for two-dimensional-layered cases, we found 58 potential materials and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www. ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000480826900060 | Publication Date | 2019-08-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:161814 | Serial | 5291 | ||
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Author | Ramachandran, R.K.; Filez, M.; Solano, E.; Poelman, H.; Minjauw, M.M.; Van Daele, M.; Feng, J.-Y.; La Porta, A.; Altantzis, T.; Fonda, E.; Coati, A.; Garreau, Y.; Bals, S.; Marin, G.B.; Detavernier, C.; Dendooven, J. | ||||
Title | Chemical and Structural Configuration of Pt Doped Metal Oxide Thin Films Prepared by Atomic Layer Deposition | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 31 | Pages | 9673-9683 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | Pt doped semiconducting metal oxides and Pt metal clusters embedded in an oxide matrix are of interest for applications such as catalysis and gas sensing, energy storage and memory devices. Accurate tuning of the dopant level is crucial for adjusting the properties of these materials. Here, a novel atomic layer deposition (ALD) based method for doping Pt into In2O3 in specific, and metals in metal oxides in general, is demonstrated. This approach combines alternating exposures of Pt and In2O3 ALD processes in a single ‘supercycle’, followed by supercycle repetition leading to multilayered nanocomposites. The atomic level control of ALD and its conformal nature make the method suitable for accurate dopant control even on high surface area supports. Oxidation state, local structural environment and crystalline phase of the embedded Pt dopants were obtained by means of X-ray characterization methods and high angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). In addition, this approach allows characterization of the nucleation stages of metal ALD processes, by stacking those states multiple times in an oxide matrix. Regardless of experimental conditions, a few Pt ALD cycles leads to the formation of oxidized Pt species due to their highly dispersed nature, as proven by X-ray absorption spectroscopy (XAS). Grazing-incidence small-angle X-ray scattering (GISAXS) and highresolution scanning transmission electron microscopy, combined with energy dispersive X-ray spectroscopy (HR-STEM/EDXS) show that Pt is evenly distributed in the In2O3 metal oxide matrix without the formation of clusters. For a larger number of Pt ALD cycles, typ. > 10, the oxidation state gradually evolves towards fully metallic, and metallic Pt clusters are obtained within the In2O3 metal oxide matrix. This work reveals how tuning of the ALD supercycle approach for Pt doping allows controlled engineering of the Pt compositional and structural configuration within a metal oxide matrix. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000502418000010 | Publication Date | 2019-11-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | This research was supported by the Flemish Research Foundation (FWO-Vlaanderen), the Flemish Government (Long term structural funding – Methusalem funding and Medium scale research infrastructure funding-Hercules funding), the Special Research Fund BOF of Ghent University (GOA 01G01513) and the CALIPSO Trans National Access Program funded by the European Commission in supplying financing of travel costs. We are grateful to the SIXS and SAMBA-SOLEIL staff for smoothly running the beamline facilities. J.D. and R.K.R. are postdoctoral fellows of the FWO. | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:164056 | Serial | 5380 | ||
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Author | Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K. | ||||
Title | Cephalosporin antibiotics : electrochemical fingerprints and core structure reactions investigated by LC-MSMS | Type | A1 Journal article | ||
Year | 2019 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 91 | Issue | 3 | Pages | 2035-2041 |
Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre | ||||
Abstract | Electrochemistry and exploiting electrochemical fingerprints is a potent approach to address newly emerging surveillance needs, for instance for antibiotics. However, a comprehensive insight in the electrochemical oxidation behaviour and mechanism is re-quired for this sensing strategy. To address the lack in knowledge of the voltammetric behaviour of the cephalosporins antibiotics, a selection of cephalosporin antibiotics and two main intermediates were subjected to an electrochemical study of their redox behaviour by means of pulsed voltammetric techniques and small-scale electrolysis combined with HPLC-MS/MS analyses. Sur-prisingly, the detected oxidation products did not fit the earlier suggested oxidation of the sulfur group to the corresponding sul-foxide. The influence of different side chains, both at the three and the seven position of the β-lactam core structure on the elec-trochemical fingerprint were investigated. Additional oxidation signals at lower potentials were elucidated and linked to different side chains. These signals were further exploited to allow simultaneous detection of different cephalosporins in one voltammetric sweep. These fundamental insights can become the building blocks for an new on-site screening method. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000458220300055 | Publication Date | 2019-01-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 6 | Open Access | |
Notes | ; The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, Grant 1S 37658 17N. ; | Approved | Most recent IF: 6.32 | ||
Call Number | UA @ admin @ c:irua:156046 | Serial | 5497 | ||
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Author | Pauwels, D.; Hereijgers, J.; Verhulst, K.; De Wael, K.; Breugelmans, T. | ||||
Title | Investigation of the electrosynthetic pathway of the aldol condensation of acetone | Type | A1 Journal article | ||
Year | 2016 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 289 | Issue | Pages | 554-561 | |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | The potential-controlled electrochemical aldol condensation of acetone to diacetone alcohol in a standard batch electrolysis set-up was studied in this work. It is confirmed that the reaction proceeds at the cathode and that, contrary to what is mentioned in earlier literature, water in the electrolyte has a disadvantageous effect on the reaction. Similar to the chemical reaction, the electrochemical reaction reaches a maximum yield when the equilibrium is reached. Separating the anode and cathode prevents cross-over and degradation of products, leading to a higher yield. Starting with pure acetone and support electrolyte, it was possible to obtain a diacetone alcohol concentration of 15 m% after two hours electrolysis in a divided set-up with a platinum electrode at -2.5 V. The concentration gradient throughout the electrolysis follows an exponential curve up to its equilibrium concentration. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000371559900061 | Publication Date | 2016-01-13 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947; 1873-3212 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 6.216 | ||
Call Number | UA @ admin @ c:irua:130396 | Serial | 5675 | ||
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Author | Vanmeert, F.; de Nolf, W.; Dik, J.; Janssens, K. | ||||
Title | Macroscopic X-ray powder diffraction scanning : possibilities for quantitative and depth-selective parchment analysis | Type | A1 Journal article | ||
Year | 2018 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 90 | Issue | 11 | Pages | 6445-6452 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | At or below the surface of painted works of art, valuable information is present that provides insights into an objects past, such as the artists technique and the creative process that was followed or its conservation history but also on its current state of preservation. Various noninvasive techniques have been developed over the past 2 decades that can probe this information either locally (via point analysis) or on a macroscopic scale (e.g., full-field imaging and raster scanning). Recently macroscopic X-ray powder diffraction (MA-XRPD) mapping using laboratory X-ray sources was developed. This method can visualize highly specific chemical distributions at the macroscale (dm(2)). In this work we demonstrate the synergy between the quantitative aspects of powder diffraction and the noninvasive scanning capability of MA-XRPD highlighting the potential of the method to reveal new types of information. Quantitative data derived from a 15th/16th century illuminated sheet of parchment revealed three lead white pigments with different hydrocerussite-cerussite compositions in specific pictorial elements, while quantification analysis of impurities in the blue azurite pigment revealed two distinct azurite types: one rich in barite and one in quartz. Furthermore, on the same artifact, the depth-selective possibilities of the method that stem from an exploitation of the shift of the measured diffraction peaks with respect to reference data are highlighted. The influence of different experimental parameters on the depth-selective analysis results is briefly discussed. Promising stratigraphic information could be obtained, even though the analysis is hampered by not completely understood variations in the unit cell dimensions of the crystalline pigment phases. | ||||
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Language | Wos | 000434893200020 | Publication Date | 2018-04-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 6 | Open Access | |
Notes | ; The authors thank Incoatec GmbH for giving us the opportunity to test the I mu S Cu X-ray source. We acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and GOA Project Solarpaint (University of Antwerp Research Council). Photo Copyright Geert Van der Snickt, 2008 for the photograph of the illuminated manuscript in the TOC graphic. ; | Approved | Most recent IF: 6.32 | ||
Call Number | UA @ admin @ c:irua:151994 | Serial | 5702 | ||
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Author | Kontozova-Deutsch, V.; Deutsch, F.; Godoi, R.H.M.; Van Grieken, R.; De Wael, K. | ||||
Title | Urban air pollutants and their micro effects on medieval stained glass windows | Type | A1 Journal article | ||
Year | 2011 | Publication | Microchemical journal | Abbreviated Journal | Microchem J |
Volume | 99 | Issue | 2 | Pages | 508-513 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Levels of urban gaseous and particulate pollutants were investigated in the Cathedral of Cologne, Germany in the framework of the EU-project VIDRIO. The purpose of this study was to evaluate the influence of a protective double glazing system on the preservation of ancient stained glass windows by sampling at protected and unprotected windows (indoors, in the interspace and outdoor of the Cathedral). The interspace between the ancient stained glass window and the protective glazing is flushed in the Cathedral by indoor air, hence isolating the historic glass from the outdoor air and exposing it to indoor air on both sides of the glass panels. Concentrations of aggressive gaseous pollutants such as NO2, SO2, O3 and CO2 as well as elemental concentrations of bulk particles and relative abundances of single particles were surveyed at all sampling locations. Elemental concentrations in bulk particulate matter were found to be significantly lower inside the Cathedral in comparison to the outdoor air. This result is advantageous for the stained glass windows. Single particle analysis of the samples from Cologne showed also soil dust and organic particles as well as sulphates and nitrates, from which the latter two compounds are dangerous for the stained glass windows. On the base of the obtained results, it can be concluded that the protective glazing system in the Cathedral of Cologne can be considered as predominantly advantageous from both the gases' point of view (except for NO2-candles burning) and from the particles' point of view. | ||||
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Language | Wos | 000295770700053 | Publication Date | 2011-07-23 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0026-265x; 0026-265x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.034 | Times cited | 6 | Open Access | |
Notes | ; This research was supported by the European Commission through the “VIDRIO-project”, contract no. EVK4-CT-2001-00045. Financial support is gratefully acknowledged. The authors acknowledge the assistance and advice during the experimental work given by the Dombauhutte team in Cologne, especially by Dr. Ulrike Brinkman and Gunter Hettinger. ; | Approved | Most recent IF: 3.034; 2011 IF: 3.048 | ||
Call Number | UA @ admin @ c:irua:91078 | Serial | 5889 | ||
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Author | Verbruggen, S.W.; Van Hal, M.; Bosserez, T.; Rongé, J.; Hauchecorne, B.; Martens, J.A.; Lenaerts, S. | ||||
Title | Harvesting hydrogen gas from air pollutants with an un-biased gas phase photo-electrochemical cell | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 10 | Issue | 7 | Pages | 1413-1418 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | The concept of an all-gas-phase photo-electrochemical cell (PEC) producing hydrogen gas from volatile organic contaminated gas and light is presented. Without applying any external bias, organic contaminants are degraded and hydrogen gas is produced in separate electrode compartments. The system works most efficiently with organic pollutants in inert carrier gas. In the presence of oxygen gas, the cell performs less efficiently but still significant photocurrents are generated, showing the cell can be run on organic contaminated air. The purpose of this study is to demonstrate new application opportunities of PEC technology and to encourage further advancement toward photo-electrochemical remediation of air pollution with the attractive feature of simultaneous energy recovery and pollution abatement. | ||||
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Language | Wos | 000398838600017 | Publication Date | 2017-02-08 | |
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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 | 6 | Open Access | |
Notes | ; S.W.V. and J.R. acknowledge the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. T.B. and J.A.M. acknowledge the Flemish government for long-term structural funding (Methusalem). Nicolaas Schewyck is greatly thanked for his experimental work during his master thesis. ; | Approved | Most recent IF: 7.226 | ||
Call Number | UA @ admin @ c:irua:140922 | Serial | 5955 | ||
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Author | Xiao, S.; Lu, Y.; Xiao, B.-Y.; Wu, L.; Song, J.-P.; Xiao, Y.-X.; Wu, S.-M.; Hu, J.; Wang, Y.; Chang, G.-G.; Tian, G.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L. | ||||
Title | Hierarchically dual-mesoporous TiO2 microspheres for enhanced photocatalytic properties and lithium storage | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 24 | Issue | 50 | Pages | 13246-13252 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Hierarchically dual‐mesoporous TiO2 microspheres have been synthesized via a solvothermal process in the presence of 1‐butyl‐3‐methylmidazolium tetrafluoroborate ([BMIm][BF4]) and diethylenetriamine (DETA) as co‐templates. Secondary mesostructured defects in the hierarchical TiO2 microspheres produce the oxygen vacancies, which not only significantly enhance the photocatalytic activity on degrading methyl blue (over 1.7 times to P25) and acetone (over 2.9 times of P25), but which also are beneficial for lithium storage. Moreover, we propose a mechanism to obtain a better understanding of the role of dual mesoporosity of TiO2 microspheres for enhancing the molecular diffusion, ion transportation and electron transformation. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000443804100025 | Publication Date | 2018-06-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | 6 | Open Access | |
Notes | ; This work is supported by the National Key R&D Program of China (2017YFC1103800), the Program for Changjiang Scholars and Innovative Research Team in University (IRT 15R52), the National Natural Science Foundation of China (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), the International Science & Technology Cooperation Program of China (2015DFE52870), the Natural Science Foundation of Hubei Province (2016CFA033, 2017CFB487), the Open Project Program of State Key Laboratory of Petroleum Pollution Control (PPC2016007), and the CNPC Research Institute of Safety and Environmental Technology. ; | Approved | Most recent IF: 5.317 | ||
Call Number | UA @ admin @ c:irua:151812 | Serial | 5957 | ||
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Author | Sanchez-Iglesias, A.; Jenkinson, K.; Bals, S.; Liz-Marzan, L.M. | ||||
Title | Kinetic regulation of the synthesis of pentatwinned gold nanorods below room temperature | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
Volume | 125 | Issue | 43 | Pages | 23937-23944 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The synthesis of gold nanorods requires the presence of symmetry-breaking and shape-directing additives, among which bromide ions and quaternary ammonium surfactants have been reported as essential. As a result, hexadecyltrimethylammonium bromide (CTAB) has been selected as the most efficient surfactant to direct anisotropic growth. One of the difficulties arising from this selection is the low solubility of CTAB in water at room temperature, and therefore the seeded growth of gold nanorods is usually performed at 25 degrees C or above, which has restricted so far the analysis of kinetic effects derived from lower temperatures. We report a systematic study of the synthesis of gold nanorods from pentatwinned seeds using hexadecyltrimethylammonium chloride (CTAC) as the principal surfactant and a low concentration of bromide as shape-directing agent. Under these conditions, the synthesis can be performed at temperatures as low as 8 degrees C, and the corresponding kinetic effects can be studied, resulting in temperature-controlled aspect ratio tunability. | ||||
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Language | Wos | 000716453300038 | Publication Date | 2021-10-23 | |
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ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 6 | Open Access | OpenAccess |
Notes | realnano; sygmaSB; This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI). | Approved | Most recent IF: 4.536 | ||
Call Number | UA @ admin @ c:irua:184104 | Serial | 6868 | ||
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Author | Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. | ||||
Title | The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 | Type | A1 Journal article | ||
Year | 2007 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
Volume | 17 | Issue | 22 | Pages | 2344-2350 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000247349400020 | Publication Date | 2007-04-18 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 7 | Open Access | ||
Notes | Supergmr:Hprn-Ct-2000-0021 | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:64749 c:irua:64749 | Serial | 13 | ||
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Author | Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.; Rozova, M.G.; Antipov, E.V. | ||||
Title | HREM study of fluorinated Nd2CuO4 | Type | A1 Journal article | ||
Year | 2001 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 157 | Issue | Pages | 56-61 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000167634500008 | Publication Date | 2002-09-18 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2001 IF: 1.614 | |||
Call Number | UA @ lucian @ c:irua:36047 | Serial | 1510 | ||
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Author | Neyts, E.; Bogaerts, A. | ||||
Title | Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study | Type | A1 Journal article | ||
Year | 2006 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 8 | Issue | 17 | Pages | 2066-2071 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000236970300011 | Publication Date | 2006-03-20 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 4.123; 2006 IF: 2.892 | |||
Call Number | UA @ lucian @ c:irua:57353 | Serial | 1625 | ||
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Author | Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P. | ||||
Title | New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis | Type | A1 Journal article | ||
Year | 2011 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
Volume | Issue | 27 | Pages | 4234-4240 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000296143500014 | Publication Date | 2011-08-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1434-1948; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.444 | Times cited | 7 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 2.444; 2011 IF: 3.049 | ||
Call Number | UA @ lucian @ c:irua:91574 | Serial | 2315 | ||
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Author | Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; | ||||
Title | Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
Volume | 43 | Issue | 37 | Pages | 13883-13891 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000342074100009 | Publication Date | 2014-07-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.029 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 4.029; 2014 IF: 4.197 | |||
Call Number | UA @ lucian @ c:irua:119960 | Serial | 2545 | ||
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Author | Gillie, L.J.; Hadermann, J.; Hervieu, M.; Maignan, A.; Martin, C. | ||||
Title | Oxygen vacancy ordering in the double-layered Ruddlesden-Popper cobaltite Sm2BaCo2O7-\delta | Type | A1 Journal article | ||
Year | 2008 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 20 | Issue | 19 | Pages | 6231-6237 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A new oxygen-deficient Ruddlesden−Popper (RP) cobaltite Sm2BaCo2O7−δ (δ ≈ 1.0) has been synthesized and the crystal structure elucidated by Rietveld analysis of X-ray powder diffraction (XRD) data and transmission electron microscopy (TEM). The phase crystallizes in a primitive orthorhombic unit cell, with lattice parameters a = 5.4371(4) Å; b = 5.4405(4) Å and c = 19.8629(6) Å, and space group Pnnm. Contrary to other oxygen-deficient cobalt RP phases, the oxygen vacancies are located in the equatorial positions of the [CoO] layers to give an intralayer structure similar to Sr2Mn2O5, which is not usually observed for cobalt-containing materials. The Sm3+ and Ba2+ cations show a strong preference for distinct sites, with the majority of the larger Ba2+ cations situated in the perovskite block layers and Sm3+ cations predominantly in the rock salt layers. Magnetic susceptibility data demonstrate the strong antiferromagnetic (AFM) character of Sm2BaCo2O7−δ. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000259871500038 | Publication Date | 2008-09-13 | |
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 | 7 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2008 IF: 5.046 | |||
Call Number | UA @ lucian @ c:irua:72946 | Serial | 2548 | ||
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Author | Smeulders, G.; van Oers, C.; Van Havenbergh, K.; Houthoofd, K.; Mertens, M.; Martens, J.A.; Bals, S.; Maes, B.U.W.; Meynen, V.; Cool, P. | ||||
Title | Smart heating profiles for the synthesis of benzene bridged periodic mesoporous organosilicas | Type | A1 Journal article | ||
Year | 2011 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 175 | Issue | Pages | 585-591 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY) | ||||
Abstract | In this study the effects of the heating rate and heating time on the formation of crystal-like benzene bridged periodic mesoporous organosilicas (PMOs) are investigated. The time needed to heat up an autoclave during the hydrothermal treatment has shown to be crucial in the synthesis of PMOs, while the total duration of heating gave rise to only minor differences. By choosing a smart heating profile, superior PMO materials can be obtained in a short time. Different heating profiles in a range from one minute to one hour are adopted by microwave equipment and compared with conventional heating methods. The heating rate has a large influence on the porosity characteristics and the uniformity of the obtained particles. Moreover, two new alternative synthetic strategies to adopt the smart heating profile are presented, in order to give some possible solutions for the expensive microwave equipment. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000297875900069 | Publication Date | 2011-10-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 7 | Open Access | |
Notes | Fwo; Goa-Bof | Approved | Most recent IF: 6.216; 2011 IF: 3.461 | ||
Call Number | UA @ lucian @ c:irua:93630 | Serial | 3044 | ||
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Author | Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. | ||||
Title | Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential | Type | A1 Journal article | ||
Year | 2015 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 142 | Issue | 142 | Pages | 024902 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000348129700053 | Publication Date | 2015-01-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606;1089-7690; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 7 | Open Access | |
Notes | ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; | Approved | Most recent IF: 2.965; 2015 IF: 2.952 | ||
Call Number | c:irua:123832 | Serial | 3267 | ||
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Author | Veldeman, E.; Van 't dack, L.; Gijbels, R.; Pentcheva, E. | ||||
Title | Sulfur species and associated trace elements in south-west Bulgarian thermal waters | Type | A1 Journal article | ||
Year | 1991 | Publication | Applied geochemistry | Abbreviated Journal | Appl Geochem |
Volume | 6 | Issue | Pages | 49-62 | |
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 | A1991EU47000004 | Publication Date | 0000-00-00 | |
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 | 7 | Open Access | |
Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
Call Number | UA @ lucian @ c:irua:706 | Serial | 3348 | ||
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Author | Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V. | ||||
Title | Pb2.85Ba2.15Fe4SnO13 : a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series | Type | A1 Journal article | ||
Year | 2011 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 184 | Issue | 12 | Pages | 3150-3157 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Pb2.85Ba2.15Fe4SnO13, a new n=5 member of the anion-deficient perovskite based AnBnO3n−2 (A=Pb, Ba, B=Fe, Sn) homologous series, was synthesized by the solid state method. The crystal structure of Pb2.85Ba2.15Fe4SnO13 was investigated using a combination of neutron powder diffraction, electron diffraction, high angle annular dark field scanning transmission electron microscopy and Mössbauer spectroscopy. It crystallizes in the Ammm space group with unit cell parameters a=5.7990(1) Å, b=4.04293(7) Å and c=26.9561(5) Å. The Pb2.85Ba2.15Fe4SnO13 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110](1̄01)p crystallographic shear (CS) planes. The corner-sharing FeO6 octahedra at the CS planes are transformed into edge-sharing FeO5 distorted tetragonal pyramids. The octahedral positions in the perovskite blocks between the CS planes are jointly taken up by Fe and Sn, with a preference of Sn towards the position at the center of the perovskite block. The chains of FeO5 pyramids and (Fe,Sn)O6 octahedra of the perovskite blocks delimit six-sided tunnels at the CS planes occupied by double chains of Pb atoms. The compound is antiferromagnetically ordered below TN=368±15 K. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000297662500003 | Publication Date | 2011-09-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2011 IF: 2.159 | |||
Call Number | UA @ lucian @ c:irua:94013 | Serial | 3550 | ||
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Author | Mlinar, V.; Peeters, F.M. | ||||
Title | A three-dimensional model for artificial atoms and molecules: influence of substrate orientation and magnetic field dependence | Type | A1 Journal article | ||
Year | 2007 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
Volume | 17 | Issue | 35 | Pages | 3687-3695 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000249080100013 | Publication Date | 2007-07-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 7 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:66124 | Serial | 3653 | ||
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Author | Zeng, Y.I.; Menghini, M.; Li, D.Y.; Lin, S.S.; Ye, Z.Z.; Hadermann, J.; Moorkens, T.; Seo, J.W.; Locquet, J.-P.; van Haesendonck, C. | ||||
Title | Unexpected optical response of single ZnO nanowires probed using controllable electrical contacts | Type | A1 Journal article | ||
Year | 2011 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 13 | Issue | 15 | Pages | 6931-6935 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Relying on combined electron-beam lithography and lift-off methods Au/Ti bilayer electrical contacts were attached to individual ZnO nanowires (NWs) that were grown by a vapor phase deposition method. Reliable Schottky-type as well as ohmic contacts were obtained depending on whether or not an ion milling process was used. The response of the ZnO NWs to ultraviolet light was found to be sensitive to the type of contacts. The intrinsic electronic properties of the ZnO NWs were studied in a field-effect transistor configuration. The transfer characteristics, including gate threshold voltage, hysteresis and operational mode, were demonstrated to unexpectedly respond to visible light. The origin of this effect could be accounted for by the presence of point defects in the ZnO NWs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000288951000019 | Publication Date | 2011-03-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 4.123; 2011 IF: 3.573 | |||
Call Number | UA @ lucian @ c:irua:89378 | Serial | 3807 | ||
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Author | Verberck, B.; Popov, V.N.; Nikolaev, A.V.; Lamoen, D. | ||||
Title | Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60 | Type | A1 Journal article | ||
Year | 2004 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 121 | Issue | Pages | 321 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000222112100035 | Publication Date | 2004-06-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 2.965; 2004 IF: 3.105 | |||
Call Number | UA @ lucian @ c:irua:47380 | Serial | 3830 | ||
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Author | Çakir, D.; Peeters, F.M. | ||||
Title | Fluorographane : a promising material for bipolar doping of MoS2 | Type | A1 Journal article | ||
Year | 2015 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 17 | Issue | 17 | Pages | 27636-27641 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n-to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000363193800043 | Publication Date | 2015-09-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 7 | 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 (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. ; | Approved | Most recent IF: 4.123; 2015 IF: 4.493 | ||
Call Number | UA @ lucian @ c:irua:129477 | Serial | 4182 | ||
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Author | Rahemi, V.; Sarmadian, N.; Anaf, W.; Janssens, K.; Lamoen, D.; Partoens, B.; De Wael, K. | ||||
Title | Unique opto-electronic structure and photo reduction properties of sulfur doped lead chromates explaining their instability in paintings | Type | A1 Journal article | ||
Year | 2017 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 89 | Issue | 89 | Pages | 3326-3334 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Chrome yellow refers to a group of synthetic inorganic pigments that became popular as an artists material from the second quarter of the 19th century. The color of the pigment, in which the chromate ion acts as a chromophore, is related to its chemical composition (PbCr1-xSxO4, with 0≤x≤0.8) and crystalline structure (monoclinic/orthorhombic). Their shades range from the yellow-orange to the paler yellow tones with increasing sulfate amount. These pigments show remarkable signs of degradation after limited time periods. Pure PbCrO4 (crocoite in its natural form) has a deep yellow color and is relatively stable, while the co-precipitate with lead sulfate (PbCr1-xSxO4) has a paler shade and seems to degrade faster. This degradation is assumed to be related to the reduction of Cr(VI) to Cr(III). We show that on increasing the sulfur(S)-content in chrome yellow, the band gap increases. Typically, when increasing the band gap, one might assume that a decrease in photo activity is the result. However, the photo activity relative to the Cr content, and thus Cr reduction, of sulfur-rich PbCr1-xSxO4 is found to be much higher compared to the sulfur-poor or non-doped lead chromates. This discrepancy can be explained by the evolution of the crystal and electronic structure as function of the sulfur content: first-principles density functional theory calculations show that both the absorption coefficient and reflection coefficients of the lead chromates change as a result of the sulfate doping in such a way that the generation of electron-hole pairs under illumination relative to the total Cr content increases. These changes in the material properties explain why paler shade yellow colors of this pigment are more prone to discoloration. The electronic structure calculations also demonstrate that lead chromate and its co-precipitates are p-type semiconductors, which explains the observed reduction reaction. As understanding this phenomenon is valuable in the field of cultural heritage, this study is the first joint action of photo-electrochemical measurements and first-principles calculations to approve the higher tendency of sulfur-rich lead chromates to darken. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000397478300015 | Publication Date | 2017-02-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 7 | Open Access | OpenAccess |
Notes | ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government, department EWI. The BOF-GOA action SOLARPAINT of the University of Antwerp Research Council is acknowledged for financial support. W.A. acknowledges support from BELSPO project S2-ART. Dr. L. Monico and Dr. C. Miliani (ISTM, Perugia) are gratefully acknowledged for helpful discussions and for providing some of the initial batches of the materials studied. ; | Approved | Most recent IF: 6.32 | ||
Call Number | UA @ lucian @ c:irua:140886 | Serial | 4451 | ||
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Author | Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J. | ||||
Title | Luminescence Property Upgrading via the Structure and Cation Changing in AgxEu(2–x)/3WO4and AgxGd(2–x)/3–0.3Eu0.3WO4 | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 29 | Issue | 20 | Pages | 8811-8823 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000413884900028 | Publication Date | 2017-10-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 7 | Open Access | Not_Open_Access |
Notes | This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged. | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:147241 | Serial | 4768 | ||
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Author | Li, K.; Liu, J.-L.; Li, X.-S.; Lian, H.-Y.; Zhu, X.; Bogaerts, A.; Zhu, A.-M. | ||||
Title | Novel power-to-syngas concept for plasma catalytic reforming coupled with water electrolysis | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 353 | Issue | Pages | 297-304 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We propose a novel Power to Synthesis Gas (P2SG) approach, composed of two high-efficiency and renewable electricity-driven units, i.e., plasma catalytic reforming (PCR) and water electrolysis (WE), to produce high quality syngas from CH4, CO2 and H2O. As WE technology is already commercial, we mainly focus on the PCR unit, consisting of gliding arc plasma and Ni-based catalyst, for oxidative dry reforming of methane. An energy efficiency of 78.9% and energy cost of 1.0 kWh/Nm3 at a CH4 conversion of 99% and a CO2 conversion of 79% are obtained. Considering an energy efficiency of 80% for WE, the P2SG system yields an overall energy efficiency of 79.3% and energy cost of 1.8 kWh/Nm3. High-quality syngas is produced without the need for posttreatment units, featuring the ideal stoichiometric number of 2, with concentration of 94.6 vol%, and a desired CO2 fraction of 1.9 vol% for methanol synthesis. The PCR unit has the advantage of fast response to adapting to fluctuation of renewable electricity, avoiding local hot spots in the catalyst bed and coking, in contrast to conventional catalytic processes. Moreover, pure O2 from the WE unit is directly utilized by the PCR unit for oxidative dry reforming of methane, and thus, no air separation unit, like in conventional processes, is required. This work demonstrates the viability of the P2SG approach for large-scale energy storage of renewable electricity via electricity-to-fuel conversion. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000441527900029 | Publication Date | 2018-07-20 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 7 | Open Access | OpenAccess |
Notes | This project is supported by the National Natural Science Foundation of China (11705019, 11475041), the Fundamental Research Funds for the Central Universities (DUT16QY49, DUT16LK16) and the Fund for Scientific Research Flanders (FWO; grant G.0383.16N). | Approved | Most recent IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:153059 | Serial | 5049 | ||
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Author | Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. | ||||
Title | First-principles study of CO and OH adsorption on in-doped ZnO surfaces | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 132 | Issue | Pages | 172-181 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic response upon adsorption of CO. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000472124700023 | Publication Date | 2019-04-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.059 | Times cited | 7 | Open Access | Not_Open_Access: Available from 26.04.2021 |
Notes | FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; | Approved | Most recent IF: 2.059 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:159656 | Serial | 5170 | ||
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Author | De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. | ||||
Title | Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 23 | Pages | 8521-8527 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000453489300014 | Publication Date | 2018-11-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 7 | Open Access | |
Notes | ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ admin @ c:irua:156235 | Serial | 5227 | ||
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Author | Rahemi, V.; Trashin, S.; Meynen, V.; De Wael, K. | ||||
Title | An adhesive conducting electrode material based on commercial mesoporous titanium dioxide as a support for Horseradish peroxidase for bioelectrochemical applications | Type | A1 Journal article | ||
Year | 2016 | Publication | Talanta : the international journal of pure and applied analytical chemistry | Abbreviated Journal | Talanta |
Volume | 146 | Issue | Pages | 689-693 | |
Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | An adhesive conducting electrode material containing of graphite, biocompatible ion exchange polymer nafion® and commercial mesoporous TiO2 impregnated with horseradish peroxidase (HRP) is prepared and characterized by amperometric, UVvis and N2 sorption methods. The factors influencing the performance of the resulting biosensor are studied in detail. The optimal electrode material consists of 45% graphite, 50% impregnated HRPTiO2 and 5% nafion®. The optimum conditions for H2O2 reduction are an applied potential of 0.3 V and 0.1 mM hydroquinone. Sensitivity and limit of detection in the optimum conditions are 1 A M−1 cm−2 and 1 µM correspondingly. The N2 sorption results show that the pore volume of TiO2 decreases sharply upon adsorption of HRP. The preparation process of the proposed enzyme electrode is straightforward and potentially can be used for preparation of carbon paste electrodes for bioelectrochemical detections. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000363815600093 | Publication Date | 2015-06-24 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0039-9140; 1873-3573 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.162 | Times cited | 7 | Open Access | |
Notes | ; The authors thank the Fund for Scientific Research – Flanders (FWO) (Grant G.0687.13), the GOA-BOF UA 2013-2016 (project-ID 28312) for funding and Ward Huybrechts of the University of Antwerp, Laboratory of Adsorption and Catalysis (LADCA) for help with the N<INF>2</INF> sorption. ; | Approved | Most recent IF: 4.162 | ||
Call Number | UA @ admin @ c:irua:126495 | Serial | 5458 | ||
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