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Author |
Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. |
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Title |
Increased Performance Improvement of Lithium-Ion Batteries by Dry Powder Coating of High-Nickel NMC with Nanostructured Fumed Ternary Lithium Metal Oxides |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
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Volume |
4 |
Issue |
9 |
Pages |
8832-8848 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Dry powder coating is an effective approach to protect the surfaces of layered cathode active materials (CAMs) in lithium-ion batteries. Previous investigations indicate an incorporation of lithium ions in fumed Al2O3, ZrO2, and TiO2 coatings on LiNi0.7Mn0.15Co0.15O2 during cycling, improving the cycling performance. Here, this coating approach is transferred for the first time to fumed ternary LiAlO2, Li4Zr3O8, and Li4Ti5O12 and directly compared with their lithium-free equivalents. All materials could be processed equally and their nanostructured small aggregates accumulate on the CAM surfaces to quite homogeneous coating layers with a certain porosity. The LiNixMnyCozO2 (NMC) coated with lithium-containing materials shows an enhanced improvement in overall capacity, capacity retention, rate performance, and polarization behavior during cycling, compared to their lithium-free analogues. The highest rate performance was achieved with the fumed ZrO2 coating, while the best long-term cycling stability with the highest absolute capacity was obtained for the fumed LiAlO2-coated NMC. The optimal coating agent for NMC to achieve a balanced system is fumed Li4Ti5O12, providing a good compromise between high rate capability and good capacity retention. The coating agents prevent CAM particle cracking and degradation in the order LiAlO2 ≈ Al2O3 > Li4Ti5O12 > Li4Zr3O8 > ZrO2 > TiO2. A schematic model for the protection and electrochemical performance enhancement of high-nickel NMC with fumed metal oxide coatings is sketched. It becomes apparent that physical and chemical characteristics of the coating significantly influence the performance of NMC. A high degree of coating-layer porosity is favorable for the rate capability, while a high coverage of the surface, especially in vulnerable grain boundaries, enhances the long-term cycling stability and improves the cracking behavior of NMCs. While zirconium-containing coatings possess the best chemical properties for high rate performances, aluminum-containing coatings feature a superior chemical nature to protect high-nickel NMCs. |
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Wos |
000703338600018 |
Publication Date |
2021-09-27 |
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Edition |
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ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
15 |
Open Access |
OpenAccess |
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Notes |
For his support in scanning electron microscopy analysis, the authors thank Erik Peldszus. N. G. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and from the Flemish Research Fund (FWO) project G0F1320N. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:183949 |
Serial |
6823 |
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Author |
Biswas, A.N.; Winter, L.R.; Loenders, B.; Xie, Z.; Bogaerts, A.; Chen, J.G. |
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Title |
Oxygenate Production from Plasma-Activated Reaction of CO2and Ethane |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Acs Energy Letters |
Abbreviated Journal |
Acs Energy Lett |
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Volume |
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Issue |
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Pages |
236-241 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Upgrading ethane with CO2 as a soft oxidant represents a desirable means of obtaining oxygenated hydrocarbons. This reaction is not thermodynamically feasible under mild conditions and has not been previously achieved as a one-step process. Nonthermal plasma was implemented as an alternative means of supplying energy to overcome activation barriers, leading to the production of alcohols, aldehydes, and acids as well as C1−C5+ hydrocarbons under ambient pressure, with a maximum total oxygenate selectivity of 12%. A plasma chemical kinetic computational model was developed and found to be in good agreement with the experimental trends. Results from this study illustrate the potential to use plasma for the direct synthesis of value-added alcohols, acids, and aldehydes from ethane and CO2 under mild conditions. |
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Wos |
000732435700001 |
Publication Date |
2021-12-14 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2380-8195 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
Basic Energy Sciences, DE-SC0012704 ; Fonds Wetenschappelijk Onderzoek, S001619N ; H2020 European Research Council, 810182 ; National Science Foundation, DGE 16-44869 ; This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Catalysis Science Program (grant no. DE-SC0012704). L.R.W. acknowledges the U.S. National Science Foundation Graduate Research Fellowship Program grant number DGE 16-44869. B.L. and A.B. acknowledge support from the FWO-SBO project PLASMA240 |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:184812 |
Serial |
6897 |
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Author |
Zheng, Y.-R.; Vernieres, J.; Wang, Z.; Zhang, K.; Hochfilzer, D.; Krempl, K.; Liao, T.-W.; Presel, F.; Altantzis, T.; Fatermans, J.; Scott, S.B.; Secher, N.M.; Moon, C.; Liu, P.; Bals, S.; Van Aert, S.; Cao, A.; Anand, M.; Nørskov, J.K.; Kibsgaard, J.; Chorkendorff, I. |
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Title |
Monitoring oxygen production on mass-selected iridium–tantalum oxide electrocatalysts |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nature Energy |
Abbreviated Journal |
Nat Energy |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Development of low-cost and high-performance oxygen evolution reaction catalysts is key to implementing polymer electrolyte membrane water electrolyzers for hydrogen production. Iridium-based oxides are the state-of-the-art acidic oxygen evolution reactio catalysts but still suffer from inadequate activity and stability, and iridium's scarcity motivates the discovery of catalysts with lower iridium loadings. Here we report a mass-selected iridium-tantalum oxide catalyst prepared by a magnetron-based cluster source with considerably reduced noble-metal loadings beyond a commercial IrO2 catalyst. A sensitive electrochemistry/mass-spectrometry instrument coupled with isotope labelling was employed to investigate the oxygen production rate under dynamic operating conditions to account for the occurrence of side reactions and quantify the number of surface active sites. Iridium-tantalum oxide nanoparticles smaller than 2 nm exhibit a mass activity of 1.2 ± 0.5 kA “g” _“Ir” ^“-1” and a turnover frequency of 2.3 ± 0.9 s-1 at 320 mV overpotential, which are two and four times higher than those of mass-selected IrO2, respectively. Density functional theory calculations reveal that special iridium coordinations and the lowered aqueous decomposition free energy might be responsible for the enhanced performance. |
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Wos |
000728458000001 |
Publication Date |
2021-12-09 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2058-7546 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
95 |
Open Access |
OpenAccess |
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Notes |
Y.-R.Z. and Z.W acknowledge funding from the Toyota Research Institute. This project has received funding from VILLUM FONDEN (grant no. 9455) and the European Research Council under the European Union’s Horizon 2020 research and innovation programme (grants no. 741860-CLUNATRA, no. 815128−REALNANO and no. 770887−PICOMETRICS). S.B. and S.V.A. acknowledge funding from the Research Foundation Flanders (FWO, G026718N and G050218N). T.A. acknowledges the University of Antwerp Research Fund (BOF). STEM measurements were supported by the European Union's Horizon 2020 Research Infrastructure-Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3.; sygmaSB |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:184794 |
Serial |
6903 |
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Author |
Nabavi-Pelesaraei, A.; Azadi, H.; Van Passel, S.; Saber, Z.; Hosseini-Fashami, F.; Mostashari-Rad, F.; Ghasemi-Mobtaker, H. |
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Title |
Prospects of solar systems in production chain of sunflower oil using cold press method with concentrating energy and life cycle assessment |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Energy |
Abbreviated Journal |
Energy |
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Volume |
223 |
Issue |
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Pages |
120117 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The aim of this study is determination of exergoenvironmental efficiency for using solar technologies in sunflower oil production in Iran. Accordingly, the applications of photovoltaic and photovoltaic/thermal systems were evaluated for both agricultural and industrial phases of sunflower oil production. Energy results reveal that 1 ton of sunflower oil consumes and produces about 180,354 and 39,400 MJ energy, respectively. About 86% of total energy consumption belongs to agricultural phase and electricity with 32%, has the highest share of total energy consumption. IMPACT 2002+ method and cumulative energy demand of life cycle assessment are applied to 3 defined scenarios including Present, photovoltaic and photovoltaic/thermal. Results indicate that total amounts of climate change in Present scenarios is 24537.53 kg CO2 eq.. The highest share of human health (90%), ecosystem quality (90%) and climate change (50%) in all scenarios belongs to direct emissions. Results also illustrates that total cumulative energy demand of Present, photovoltaic and photovoltaic/thermal scenarios are about 177,538, 99,054 and 132,158 MJ 1TSO(-1), respectively. Furthermore, the most contribution of non-renewable resources and fossil fuels belongs to electricity (37%), nitrogen (52%) and photovoltaic/thermal panels (39%) in Present, photovoltaic and photovoltaic/thermal scenarios, respectively. Finally the photovoltaic scenario is the best environmental-friendly scenario. (c) 2021 Elsevier Ltd. All rights reserved. |
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Wos |
000637964000003 |
Publication Date |
2021-02-17 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0360-5442 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.52 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.52 |
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Call Number |
UA @ admin @ c:irua:178193 |
Serial |
6940 |
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Author |
Chernozem, R., V; Romanyuk, K.N.; Grubova, I.; Chernozem, P., V.; Surmeneva, M.A.; Mukhortova, Y.R.; Wilhelm, M.; Ludwig, T.; Mathur, S.; Kholkin, A.L.; Neyts, E.; Parakhonskiy, B.; Skirtach, A.G.; Surmenev, R.A. |
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Title |
Enhanced piezoresponse and surface electric potential of hybrid biodegradable polyhydroxybutyrate scaffolds functionalized with reduced graphene oxide for tissue engineering |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nano Energy |
Abbreviated Journal |
Nano Energy |
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Volume |
89 |
Issue |
B |
Pages |
106473 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Piezoelectricity is considered to be one of the key functionalities in biomaterials to boost bone tissue regeneration, however, integrating biocompatibility, biodegradability and 3D structure with pronounced piezoresponse remains a material challenge. Herein, novel hybrid biocompatible 3D scaffolds based on biodegradable poly(3-hydroxybutyrate) (PHB) and reduced graphene oxide (rGO) flakes have been developed. Nanoscale insights revealed a more homogenous distribution and superior surface potential values of PHB fibers (33 +/- 29 mV) with increasing rGO content up to 1.0 wt% (314 +/- 31 mV). The maximum effective piezoresponse was detected at 0.7 wt% rGO content, demonstrating 2.5 and 1.7 times higher out-of-plane and in-plane values, respectively, than that for pure PHB fibers. The rGO addition led to enhanced zigzag chain formation between paired lamellae in PHB fibers. In contrast, a further increase in rGO content reduced the alpha-crystal size and prevented zigzag chain conformation. A corresponding model explaining structural and molecular changes caused by rGO addition in electrospun PHB fibers is proposed. In addition, finite element analysis revealed a negligible vertical piezoresponse compared to lateral piezoresponse in uniaxially oriented PHB fibers based on alpha-phase (P2(1)2(1)2(1) space group). Thus, the present study demonstrates promising results for the development of biodegradable hybrid 3D scaffolds with an enhanced piezoresponse for various tissue engineering applications. |
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Wos |
000703592700002 |
Publication Date |
2021-08-31 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2211-2855 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.343 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 12.343 |
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Call Number |
UA @ admin @ c:irua:182579 |
Serial |
7914 |
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Author |
Quintero-Coronel, D.A.; Lenis-Rodas, Y.A.; Corredor, L.A.; Perreault, P.; Gonzalez-Quiroga, A. |
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Title |
Thermochemical conversion of coal and biomass blends in a top-lit updraft fixed bed reactor : experimental assessment of the ignition front propagation velocity |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Energy |
Abbreviated Journal |
Energy |
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Volume |
220 |
Issue |
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Pages |
119702-119710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Co-thermochemical conversion of coal and biomass can potentially decrease the use of fossil carbon and pollutant emissions. This work presents experimental results for the so-called top-lit updraft fixed bed reactor, in which the ignition front starts at the top and propagates downward while the gas product flows upwards. The study focuses on the ignition front propagation velocity for the co-thermochemical conversion of palm kernel shell and high-volatile bituminous coal. Within the range of assessed air superficial velocities, the process occurred under gasification and near stoichiometric conditions. Under gasification conditions increasing coal particle size from 7.1 to 22 mm decreased ignition front velocity by around 26% regardless of the coal volume percentage. Furthermore, increasing coal volume percentage and decreasing coal particle size result in product gas with higher energy content. For the operation near stoichiometric conditions, increasing coal volume percentage from 10 to 30% negatively affected the ignition front velocity directly proportional to its particle size. Additional experiments confirmed a linear dependence of ignition front velocity on air superficial velocity. Further steps in the development of the top-lit updraft technology are implementing continuous solids feeding and variable cross-sectional area and optimizing coal particle size distribution. |
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Wos |
000623087300003 |
Publication Date |
2020-12-24 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0360-5442 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.52 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.52 |
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Call Number |
UA @ admin @ c:irua:175861 |
Serial |
8664 |
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Author |
Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A. |
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Title |
Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
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Volume |
6 |
Issue |
13 |
Pages |
6956-6971 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance. |
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Wos |
001018266700001 |
Publication Date |
2023-07-10 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
Not_Open_Access: Available from 24.12.2023 |
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Notes |
Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 6.4; 2023 IF: NA |
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Call Number |
EMAT @ emat @c:irua:198160 |
Serial |
8809 |
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