|
Records |
Links |
|
Author |
L. Zhang, J. Kim, J. Zhang, F. Nan, N. Gauquelin, G.A. Botton, P. He, R. Bashyam, S. Knights |
|
|
Title |
Ti4O7 supported Ru@Pt core–shell catalyst for CO-tolerance in PEM fuel cell hydrogen oxidation reaction |
Type |
A1 Journal Article |
|
Year |
2013 |
Publication |
Applied Energy |
Abbreviated Journal |
|
|
|
Volume |
103 |
Issue |
March 2013 |
Pages |
507-513 |
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
A new method is developed for synthesizing Ti4O7 supported Ru@Pt core–shell catalyst (Ru@Pt/Ti4O7) through pyrolysis followed by microwave irradiation. The purpose is to improve the Ru durability of PtRu from core–shell structure and strong bonding to Ti4O7 oxide. In this method, the first step is to co-reduce the mixture of ruthenium precursor and TiO2 in a H2 reducing atmosphere under heat-treatment to obtain a Ru core on Ti4O7 support, and the second step is to create a shell of platinum via microwave irradiation. Energy dispersive X-ray spectrometry, X-ray Diffraction, High-resolution Scanning Transmission Electron Microscopy with the high-angle annular dark-field method and Electron Energy-Loss Spectroscopy are used to demonstrate that this catalyst with larger particles has a core–shell structure with a Ru core and a Pt shell. Electrochemical measurements show Ru@Pt/Ti4O7 catalyst has a higher CO-tolerance capability than that of PtRu/C alloy catalyst. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000314669500048 |
Publication Date |
2012-11-11 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
|
|
|
Impact Factor |
|
Times cited |
33 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
EMAT @ emat @ |
Serial |
4547 |
|
Permanent link to this record |
|
|
|
|
Author |
Shah, J.; Wang, W.; Bogaerts, A.; Carreon, M.L. |
|
|
Title |
Ammonia Synthesis by Radio Frequency Plasma Catalysis: Revealing the Underlying Mechanisms |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
|
|
Volume |
1 |
Issue |
9 |
Pages |
4824-4839 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Nonthermal plasma is a promising alternative for ammonia synthesis at gentle conditions. Metal meshes of Fe, Cu, Pd, Ag, and Au were employed as catalysts in radio frequency plasma for ammonia synthesis. The energy yield for all these transition metal catalysts ranged between 0.12 and 0.19 g-NH3/kWh at 300 W and, thus, needs further improvement. In addition, a semimetal, pure gallium, was used for the first time as catalyst for ammonia synthesis, with energy yield of 0.22 g-NH3/kWh and with a maximum yield of ∼10% at 150 W. The emission spectra, as well as computer simulations, revealed hydrogen recombination as a primary governing parameter, which depends on the concentration or flux of H atoms in the plasma and on the catalyst surface. The simulations helped to elucidate the underlying mechanism, implicating the dominance of surface reactions and surface adsorbed species. The rate limiting step appears to be NH2 formation on the surface of the reactor wall and on the catalyst surface, which is different from classical catalysis. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000458706500048 |
Publication Date |
2018-09-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
M.L.C. acknowledges financial support from The University of Tulsa Faculty Startup Funds and The University of Tulsa Faculty Development Summer Fellowship Grant (FDSF). A.B. acknowledges financial support from the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F91618N; EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: NA |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:153804 |
Serial |
5051 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Reumermann, P.; Luzardo, N.M.; Witters, N.; Broeze, J. |
|
|
Title |
A techno-economic evaluation of a biomass energy conversion park |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Applied Energy |
Abbreviated Journal |
Appl Energ |
|
|
Volume |
104 |
Issue |
|
Pages |
611-622 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
|
|
Abstract |
Biomass as a renewable energy source has many advantages and is therefore recognized as one of the main renewable energy sources to be deployed in order to attain the target of 20% renewable energy use of final energy consumption by 2020 in Europe. In this paper the concept of a biomass Energy Conversion Park (ECP) is introduced. A biomass ECP can be defined as a synergetic, multi-dimensional biomass conversion site with a highly integrated set of conversion technologies in which a multitude of regionally available biomass (residue) sources are converted into energy and materials. A techno-economic assessment is performed on a case study in the Netherlands to illustrate the concept and to comparatively assess the highly integrated system with two mono-dimensional models. The three evaluated models consist of (1) digestion of the organic fraction of municipal solid waste, (2) co-digestion of manure and co-substrates, and (3) integration. From a socio-economic point of view it can be concluded that it is economically and energetically more interesting to invest in the integrated model than in two separate models. The integration is economically feasible and environmental benefits can be realized. For example, the integrated model allows the implementation of a co-digester. Unmanaged manure would otherwise represent a constant pollution risk. However, from an investor's standpoint one should firstly invest in the municipal solid waste digester since the net present value (NPV) of this mono-dimensional model is higher than that of the multi-dimensional model. A sensitivity analysis is performed to identify the most influencing parameters. Our results are of interest for companies involved in the conversion of biomass. The conclusions are useful for policy makers when deciding on policy instruments concerning manure processing or biogas production. (C) 2012 Elsevier Ltd. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000316152700062 |
Publication Date |
2012-12-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0306-2619 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
7.182 |
Times cited |
45 |
Open Access |
|
|
|
Notes |
; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. Furthermore, the authors gratefully acknowledge the financial support from INTERREG and the province of Limburg (Belgium). Also, we would like to thank all remaining partners of the ECP project (Eloi Schreurs, Dries Maes, Kristian Coppoolse, Han ten Berge, Bert Annevelink, Nathalie Devriendt, Erwin Cornelissen, Hannes Pieper, Pieter Vollaard, Jan Venselaar, and Hessel Abbink Spaink) for their support and contributions. Finally, we would like to express our gratitude towards the organization of the eighth International Conference on Renewable Resources and Biorefineries in Toulouse (France) for giving us the opportunity to present and thereby fine-tune our work. ; |
Approved |
Most recent IF: 7.182; 2013 IF: 5.261 |
|
|
Call Number |
UA @ admin @ c:irua:127552 |
Serial |
6145 |
|
Permanent link to this record |
|
|
|
|
Author |
Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. |
|
|
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 |
|
Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
|
|
Volume |
4 |
Issue |
9 |
Pages |
8832-8848 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000703338600018 |
Publication Date |
2021-09-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
15 |
Open Access |
OpenAccess |
|
|
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 |
|
|
Call Number |
EMAT @ emat @c:irua:183949 |
Serial |
6823 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Li, C.; Boev, A.; Aksyonov, D.A.; Savina, A.A.; Abakumova, T.A.; Van Tendeloo, G.; Bals, S. |
|
|
Title |
Grain boundaries as a diffusion-limiting factor in lithium-rich NMC cathodes for high-energy lithium-ion batteries |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
4 |
Issue |
7 |
Pages |
6777-6786 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
High-energy lithium-rich layered transition metal oxides are capable of delivering record electrochemical capacity and energy density as positive electrodes for Li-ion batteries. Their electrochemical behavior is extremely complex due to sophisticated interplay between crystal structure, electronic structure, and defect structure. Here we unravel an extra level of this complexity by revealing that the most typical representative Li1.2Ni0.13Mn0.54Co0.13O2 material, prepared by a conventional coprecipitation technique with Na2CO3 as a precipitating agent, contains abundant coherent (001) grain boundaries with a Na-enriched P2-structured block due to segregation of the residual sodium traces. The trigonal prismatic oxygen coordination of Na triggers multiple nanoscale twinning, giving rise to incoherent (104) boundaries. The cationic layers at the (001) grain boundaries are filled with transition metal cations being Mn-depleted and Co-enriched; this makes them virtually not permeable for the Li+ cations, and therefore they negatively influence the Li diffusion in and out of the spherical agglomerates. These results demonstrate that besides the mechanisms intrinsic to the crystal and electronic structure of Li-rich cathodes, their rate capability might also be depreciated by peculiar microstructural aspects. Dedicated engineering of grain boundaries opens a way for improving inherently sluggish kinetics of these materials. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000678382900042 |
Publication Date |
2021-07-02 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
4 |
Open Access |
OpenAccess |
|
|
Notes |
We thank Dr. M. V. Berekchiian (MSU) for assisting in ICPMS measurements. We acknowledge Russian Science Foundation (Grant 20-43-01012) and Research Foundation Flanders (FWO Vlaanderen, Project No. G0F1320N) for financial support. |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:180556 |
Serial |
6841 |
|
Permanent link to this record |
|
|
|
|
Author |
Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R. |
|
|
Title |
Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
5 |
Issue |
6 |
Pages |
7538-7549 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000820418400001 |
Publication Date |
2022-05-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.4 |
|
|
Call Number |
UA @ admin @ c:irua:189666 |
Serial |
7082 |
|
Permanent link to this record |
|
|
|
|
Author |
Yedukondalu, N.; Pandey, T.; Roshan, S.C.R. |
|
|
Title |
Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
6 |
Issue |
4 |
Pages |
2401-2411 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000929103700001 |
Publication Date |
2023-02-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:195245 |
Serial |
7300 |
|
Permanent link to this record |
|
|
|
|
Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
|
|
Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
2 |
Issue |
2 |
Pages |
1251-1258 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000459948900037 |
Publication Date |
2019-01-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:193759 |
Serial |
7414 |
|
Permanent link to this record |
|
|
|
|
Author |
Yildiz, A.; Chouki, T.; Atli, A.; Harb, M.; Verbruggen, S.W.; Ninakanti, R.; Emin, S. |
|
|
Title |
Efficient iron phosphide catalyst as a counter electrode in dye-sensitized solar cells |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
4 |
Issue |
10 |
Pages |
10618-10626 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000711236300022 |
Publication Date |
2021-10-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:181953 |
Serial |
7853 |
|
Permanent link to this record |
|
|
|
|
Author |
Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J. |
|
|
Title |
Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
1 |
Issue |
4 |
Pages |
1549-1558 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000458705400020 |
Publication Date |
2018-03-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:157642 |
Serial |
8487 |
|
Permanent link to this record |
|
|
|
|
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. |
|
|
Title |
Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
|
|
Volume |
6 |
Issue |
13 |
Pages |
6956-6971 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001018266700001 |
Publication Date |
2023-07-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 24.12.2023 |
|
|
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 |
|
|
Call Number |
EMAT @ emat @c:irua:198160 |
Serial |
8809 |
|
Permanent link to this record |
|
|
|
|
Author |
Vasilakou, K.; Nimmegeers, P.; Thomassen, G.; Billen, P.; Van Passel, S. |
|
|
Title |
Assessing the future of second-generation bioethanol by 2030 : a techno-economic assessment integrating technology learning curves |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Applied energy |
Abbreviated Journal |
|
|
|
Volume |
344 |
Issue |
|
Pages |
121263-15 |
|
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
|
|
Abstract |
Lignocellulosic biomass is the most abundant source of renewable biomass and is seen as a high-potential replacement for petroleum-based resources. The conversion technologies to advanced biofuels are still at a low maturity level, thus allowing for future cost reductions through technological learning. This fact is barely considered in state-of-the-art techno-economic assessments and a structured approach to account for technological learning in techno-economic assessments is needed. In this study, a framework for techno-economic assessments of advanced biofuels, integrating learning curves, is proposed. As a validation of this framework, the economic feasibility of the valorization of corn stover for the production of second-generation bioethanol in Belgium is studied. Process flowsheet simulations in Aspen Plus are developed, with an emphasis on the comparison of four different pretreatment technologies and two plant capacities at 156 dry kt biomass/y and 667 dry kt/y. The dilute acid pretreatment model of the large-scale biorefinery required the lowest minimum learning rate to reach an economically feasible biorefinery by 2030, being 3.9%, almost half as the one calculated for the smaller scale plant. This learning rate seems to be achievable based on learning rates commonly estimated in literature. We conclude that there is a potential for advanced ethanol production in Belgium under the current state of technology for large-scale biorefineries, which require additional biomass imports, when accounting for future cost reductions through learning |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001007488700001 |
Publication Date |
2023-05-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0306-2619 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.2 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 11.2; 2023 IF: 7.182 |
|
|
Call Number |
UA @ admin @ c:irua:196509 |
Serial |
9186 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Daele, K.; Balalta, D.; Hoekx, S.; Jacops, R.; Daems, N.; Altantzis, T.; Pant, D.; Breugelmans, T. |
|
|
Title |
Synergy or Antagonism? Exploring the Interplay of SnO2and an N-OMC Carbon Capture Medium for the Electrochemical CO2Reduction toward Formate |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
ACS Applied Energy Materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
|
|
Volume |
7 |
Issue |
13 |
Pages |
5517-5527 |
|
|
Keywords |
A1 Journal Article; nitrogen-doped ordered mesoporous carbon, SnO2, degradation pathways, electrochemical CO2 reduction, formate; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
Closing the anthropogenic carbon cycle by means of the sustainable electrochemical CO2 reduction (eCO2R) toward formate (FA) is a promising strategy for CO2 abatement, clearing the path toward a carbon neutral future. Currently, three possible reaction pathways have been identified for the eCO2R toward FA, all of which are initiated by the adsorption of CO2 on the electrocatalyst’s surface. Therefore, a possible strategy to enhance the availability of CO2 near the active sites is to combine an active electrocatalyst material (here, SnO2) with a known carbon capture medium (here, nitrogen-doped ordered mesoporous carbon (N-OMC)). SnO2 was introduced in situ during the N-OMC synthesis, yielding SnO2-N-OMCs. We approached the state of the art for Sn-based N-doped carbon electrocatalysts in terms of performance under industrially relevant currents with an average FEFA of 59% for SnO2-N-OMC (6) and 61% for SnO2-N-OMC (2). Moreover, the SnO2-N-OMC electrocatalysts require a low overpotential, courtesy of the N-OMC support, compared to the state of the art, for the selective conversion of CO2 toward FA at the industrially relevant current density of 100 mA cm–2. Additionally, the 24 h stability of the best performing SnO2-N-OMC electrocatalysts is explored, and pulverization/agglomeration and in situ SnO2 reduction are identified as major degradation pathways, allowing future research to be steered more accurately toward more stable Sn-based electrocatalysts for the eCO2R toward FA. An optimal combination of both the SnO2 species and the N-OMC carbon capture medium could result in a synergistic effect, especially when utilization of the N-OMC support material is optimized to morphologically stabilize the SnO2 active species. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001253 |
Publication Date |
2024-07-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
K.V.D. received financial support through a PhD fellowship strategic basic research (1S83320N) from the Research Foundation Flanders (FWO). Additionally, this project received funding in the framework of the Catalisti cluster SBO project CO2PERATE (“All renewable CCU based on formic acid integrated in an industrial micro-grid”), with financial support of VLAIO (Flemish Agency for Innovation and Entrepreneurship) (UA & VITO). Furthermore, this research was supported by the Interreg 2 Seas-program 2014–2020, cofunded by the European Regional Development Fund under subsidy contract no. E2C 2S03-019 (UA & VITO). D.B. and D.P. acknowledge the support from European Union’s Horizon 2020 MSCA-ITN programme under grant agreement no. 955650 (CATCHY). S.H. is financially supported through a PhD fellowship strategic basic research (1S42623N) from the Research Foundation Flanders (FWO). R.J. received financial support of the federal Energy Transition Fund by FPS Economy. T.A. acknowledges funding from the University of Antwerp Research fund (BOF). We acknowledge Prof. Tom Hauffman and Kitty Baert from the Electrochemical and Surface Engineering research group (SURF) at the VUB (Vrije Universiteit Brussel) for the XPS measurements, Prof. Christophe Vande Velde from the Intelligence in Processes, Advanced Catalysts and Solvents (iPRACS, UAntwerp) research group for the XRD analysis, and Prof. Pegie Cool, Prof. Vera Meynen, and Radu-George Ciocarlan from the Laboratory of Adsorption and Catalysis (LADCA, UAntwerp) for the nitrogen physisorption and Raman spectroscopy measurements. |
Approved |
Most recent IF: 6.4; 2024 IF: NA |
|
|
Call Number |
EMAT @ emat @c:irua:206409 |
Serial |
9261 |
|
Permanent link to this record |
|
|
|
|
Author |
Hoekx, S.; Daems, N.; Arenas Esteban, D.; Bals, S.; Breugelmans, T. |
|
|
Title |
Toward the rational design of Cu electrocatalysts for improved performance of the NO3RR |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
7 |
Issue |
9 |
Pages |
3761-3775 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
|
|
Abstract |
Cu is one of the most promising materials as an electrocatalyst for the nitrate reduction reaction (NO3RR) to ammonia, a reaction that can simultaneously remove nitrates from wastewater and produce ammonia, a high-value commodity chemical. However, a rational approach to catalyst design is lacking, limiting efficient catalyst optimization. In this work, we propose a way to synthesize monodisperse, polycrystalline Cu NPs with small variances in size by changing the carbon chain length of the phosphonic acid-based ligand. Cu NPs with 8.3, 10.0, and 11.9 nm diameters are successfully synthesized, and high-resolution electron microscopy and tomography are used to characterize these NPs in depth. By isolating Cu NP size as a parameter, we can unequivocally establish its effect on electrochemical performance for the NO3RR to ammonia under optimal operating conditions for the catalyst (0.1 M KOH electrolyte at -1.25 V vs RHE, as established in the first phase). The smallest Cu NPs (8.3 nm with a TDPA ligand) perform best, achieving Faradaic efficiencies (FEs) of 85.4% and absolute current densities of similar to 250 mA cm(-2), with increasing current densities and constant FEs as the particle size decreases. To allow for a rational approach to Cu-based catalyst design from a stability perspective, this work completed a first study of the main degradation pathway that the Cu NPs undergo during NO3RR. High-resolution electron microscopy and tomography are used to characterize the particles at various stages of the reaction. The NPs undergo agglomeration, pulverization, and particle detachment due to the reaction, starting at a particle size of 8.3 nm and progressively getting smaller, but leveling off, until a NP size of 2.6 nm is reached after 2 h of electrolysis. This decrease in NP size goes paired with a decrease in FE from 83% after the first 15 min to 74% after 2 h at -0.75 V vs RHE, despite the increase in active surface area. These insights into the most prominent degradation mechanisms allow for rational adjustments to future catalysts to combat these changes; for example, by embedding NPs in a tailored support, morphological degradation could be impeded. Therefore, these insights allow for a rational approach to the improvement of the stability of Cu-based catalysts for the NO3RR, a very important but often an overlooked aspect of catalyst design. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001228056800001 |
Publication Date |
2024-04-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 6.4; 2024 IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:206469 |
Serial |
9323 |
|
Permanent link to this record |