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	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	Conings, B.; Babayigit, A.; Klug, M.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J.T.-W.; Verbeeck, J.; Boyen, H.-G.; Snaith, H.
	Title	Getting rid of anti-solvents: gas quenching for high performance perovskite solar cells			Type	P1 Proceeding
	Year	2018	Publication	2018 Ieee 7th World Conference On Photovoltaic Energy Conversion (wcpec)(a Joint Conference Of 45th Ieee Pvsc, 28th Pvsec & 34th Eu Pvsec)	Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	As the field of perovskite optoelectronics developed, a plethora of strategies has arisen to control their electronic and morphological characteristics for the purpose of producing high efficiency devices. Unfortunately, despite this wealth of deposition approaches, the community experiences a great deal of irreproducibility between different laboratories, batches and preparation methods. Aiming to address this issue, we developed a simple deposition method based on gas quenching that yields smooth films for a wide range of perovskite compositions, in single, double, triple and quadruple cation varieties, and produces planar heterojunction devices with competitive efficiencies, so far up to 20%.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000469200401163	Publication Date	2018-12-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-5386-8529-7	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:160468			Serial	5365
Permanent link to this record



	Author	Milis, K.; Peremans, H.; Van Passel, S.
	Title	Steering the adoption of battery storage through electricity tariff design			Type	A1 Journal article
	Year	2018	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	98	Issue	98	Pages	125-139
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	The economic viability of electricity storage using batteries, under different tariff structures and system configurations, is investigated. The economic outcomes of the different combinations of tariff design and system configuration are evaluated. Based on a discussion of the relevant literature, the following tariff designs are used in the study: (i) fixed energy prices, (ii) real-time energy pricing, (iii) fixed rate capacity tariffs, and (iv) capacity dependent capacity tariffs. Next, the different simulated system configurations are outlined: (i) no battery storage, (ii) battery storage only, and (iii) battery storage and decentralized renewable energy production with PV. Our study provides insights for policy makers, showing that capacity block pricing only incentivises storage as part of an (existing) PV installation, while the combination of real time energy pricing and capacity block pricing promotes a wider adoption of battery storage.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000450559100010	Publication Date	2018-09-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	7	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:153327			Serial	6252
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	Author	Rafiaani, P.; Kuppens, T.; Van Dael, M.; Azadi, H.; Lebailly, P.; Van Passel, S.
	Title	Social sustainability assessments in the biobased economy : towards a systemic approach			Type	A1 Journal article
	Year	2018	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	82	Issue	2	Pages	1839-1853
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	The majority of impact assessments for the biobased economy are primarily focused on the environmental and (techno-)economic aspects, while social aspects are rarely considered. This study proposes a modified systemic approach for a social sustainability impact assessment of the biobased economy, based on a review on the common methodologies for assessing social impacts. Accordingly, the proposed approach follows the four general iterative steps of social life cycle analysis (SLCA) as it considers all life cycle phases of the biobased economy. The systemic approach considers the potential social impacts on local communities, workers, and consumers as the main three groups of the stakeholders. The review showed that the most common social indicators for inventory analysis within the biobased economy include health and safety, food security, income, employment, land- and worker-related concerns, energy security, profitability, and gender issues. Multi-criteria decision analysis (MCDA) was also highlighted as the broadly utilized methodology for aggregating the results of impact assessments within the biobased economy. Taking a life cycle perspective, this study provides a holistic view of the full sustainability of research, design, and innovation in the biobased economy by suggesting the integration of the social aspects with techno-economic and an environmental life cycle assessment. Our proposed systemic approach makes possible to integrate the social impacts that are highly valued by the affected stakeholders into the existing sustainability models that focus only on environmental and techno-economic aspects. We discuss the steps of the proposed systemic approach in order to identify the challenges of applying them within the biobased economy. These challenges refer mainly to the definition of the functional unit and system boundaries, the selection and the analysis of social indicators (inventory analysis), the aggregation of the inventory to impact categories, and the uncertainties associated with the social sustainability evaluation. The result of this review and the proposed systemic approach serve as a foundation for industry and policy makers to gain a better insight into the importance of social sustainability impacts assessment within the biobased economy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000423371300014	Publication Date	2017-08-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	28	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:149031			Serial	6250
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	Author	Van Schoubroeck, S.; Van Dael, M.; Van Passel, S.; Malina, R.
	Title	A review of sustainability indicators for biobased chemicals			Type	A1 Journal article
	Year	2018	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	94	Issue	94	Pages	115-126
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Companies dealing with chemical products have to cope with large amounts of waste and environmental risk due to the use and production of toxic substances. Against this background, increasing attention is being paid to green chemistry and the translation of this concept into biobased chemicals. Given the multitude of economic, environmental and societal impacts that the production and use of biobased chemicals have on sustainability, assessment approaches need to be developed that allow for measurement and comparison of these impacts. To evaluate sustainability in the context of policy and decision-making, indicators are generally accepted means. However, sustainability indicators currently predominantly exist for low-value applications in the bioeconomy, like bioenergy and biofuels. In this paper, a review of the state-of-the-art sustainability indicators for biobased chemicals is conducted and a gap analysis is performed to identify indicator development needs. Based on the analysis, a clear hierarchy within the concept of sustainability is found where the environmental aspect dominates over economic and social indicators. All one-dimensional indicator-sets account for environmental impacts (50%), whereas two-dimensional sets complement the environmental issues with economic indicators (34%). Moreover, even the sets encompassing all three sustainability dimensions (16%) do not account for the dynamics and interlinkages between the environment, economy and society. Using results from the literature review, an indicator list is presented that captures all indicators currently used within sustainability assessment of biobased chemicals. Finally, a framework is proposed for future indicator selection using a stakeholder survey to obtain a prioritized list of sustainability indicators for biobased chemicals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000446310000008	Publication Date	2018-06-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	17	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:154140			Serial	6244
Permanent link to this record



	Author	Milis, K.; Peremans, H.; Van Passel, S.
	Title	The impact of policy on microgrid economics : a review			Type	A1 Journal article
	Year	2018	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	81	Issue	2	Pages	3111-3119
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	This paper investigates the impact of government policy on the optimal design of microgrid systems from an economic cost minimisation perspective, and provides both an overview of the current state of the art of the field, as well as highlighting possible avenues of future research. Integer programming, to select microgrid components and to economically dispatch these components, is the optimisation method of choice in the literature. Using this methodology, a broad range of policy topics is investigated: impact of carbon taxation, economic incentives and mandatory emissions reduction or mandatory minimum percentage participation of renewables in local generation. However, the impact of alternative tariff systems, such as capacity tariffs are still unexplored. Additionally, the investigated possible benefits of microgrids are confined to emissions reduction and a possible decrease in total energy procurement costs. Possible benefits such as increased security of supply, increased power quality or energy independence are not investigated yet. Under the expected policy measures the optimal design of a microgrid will be based on a CHP-unit to provide both heat and electricity, owning to the lower capital costs associated with CHP-units when compared to those associated with renewable technologies. This means that current economic analyses indicate that the adoption of renewable energy sources within microgrids is not economically rational.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000417078200117	Publication Date	2017-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	11	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:145397			Serial	6213
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	Author	Jorli, M.; Van Passel, S.; Saghdel, H.S.
	Title	External costs from fossil electricity generation : a review of the applied impact pathway approach			Type	A1 Journal article
	Year	2018	Publication	Energy & Environment	Abbreviated Journal	Energ Environ-Uk
	Volume	29	Issue	5	Pages	635-648
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	This paper reviews and compares 11 studies that have estimated external costs of fossil electricity generation by benefits transfer. These studies include 13 countries and most of these countries are developing countries. The impact pathway approach is applied to estimate the environmental impact arising from fossil fuel-fired power plant's air emission and the related damages on human health. The estimated damages are used to value the monetary external costs from fossil fuel electricity generation. The estimated external costs in the 13 countries vary from 0.51 to 213.5 USD (2005) per MWh due to differences in fossil fuel quality, location, technology, and efficiency of power plants and additionally differences in assumptions, monetization values, and impact estimations. Accounting for these externalities can indicate the actual costs of fossil energy. The results can be applied by policy makers to take measures to avoid additional costs and to apply newer and cleaner energy sources. The described methods in the selected studies for estimating the external costs with respect to incomplete local data can be applied as a useful example for other developing countries.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000440685300001	Publication Date	2018-03-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0958-305x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.302	Times cited	3	Open Access
	Notes	; ;			Approved	Most recent IF: 0.302
	Call Number	UA @ admin @ c:irua:153136			Serial	6201
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	Author	Srivastava, A.; Van Passel, S.; Laes, E.
	Title	Assessing the success of electricity demand response programs : a meta-analysis			Type	A1 Journal article
	Year	2018	Publication	Energy Research and Social Science	Abbreviated Journal
	Volume	40	Issue	40	Pages	110-117
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	This paper conducts a meta-analysis of 32 electricity demand response programs in the residential sector to understand whether their success is dependent on specific characteristics. The paper analyses several regression models using various combinations of variables that capture the designs of the programs and the socio-economic conditions in which the programs are implemented. The analysis reveals that demand response programs are more likely to succeed in highly urbanized areas, in areas where economic growth rates are high, and in areas where the renewable energy policy is favorable. These findings provide useful guidance in determining where and how to implement future demand response programs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430737800014	Publication Date	2017-12-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2214-6296	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor		Times cited	18	Open Access
	Notes	; ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:149027			Serial	6154
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	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
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	Author	Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A.
	Title	Suppressing the formation of NO_xand N₂O in CO₂/N₂dielectric barrier discharge plasma by adding CH₄: scavenger chemistry at work			Type	A1 Journal article
	Year	2019	Publication	Sustainable Energy & Fuels	Abbreviated Journal	Sustainable Energy Fuels
	Volume	3	Issue	6	Pages	1388-1395
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000469258600021	Publication Date	2019-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2398-4902	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01.			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @UA @ admin @ c:irua:160268			Serial	5188
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	Author	Yuan, S.; Pu, Z.; Zhou, H.; Yu, J.; Amiinu, I.S.; Zhu, J.; Liang, Q.; Yang, J.; He, D.; Hu, Z.; Van Tendeloo, G.; Mu, S.
	Title	A universal synthesis strategy for single atom dispersed cobalt/metal clusters heterostructure boosting hydrogen evolution catalysis at all pH values			Type	A1 Journal article
	Year	2019	Publication	Nano energy	Abbreviated Journal	Nano Energy
	Volume	59	Issue	59	Pages	472-480
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The development of a stable, efficient and economic catalyst for hydrogen evolution reaction (HER) of water splitting is one of the most hopeful approaches to confront the environmental and energy crisis. A two-step method is employed to obtain metal clusters (Ru, N, Pd etc.) combining single cobalt atoms anchored on nitrogen-doped carbon (Ru/Pt/Pd@Co-SAs/N-C). Based on the synergistic effect between Ru clusters and single cobalt atoms, Ru@Co-SAs/N-C exhibits an outstanding HER electrocatalytic activity. Specifically, Ru@Co-SAs/N-C only needs 7 mV overpotential at 10 mA cm(-2) in 1 M KOH solution, which is much better than commercial 20 wt% PVC (40 mV) catalyst. Density functional theory (DFT) calculations further reveal the synergy effect between surface Ru nanoclusters and Co-SAs/N-C toward hydrogen adsorption for HER. Additionally, Ru@CoSAs/N-C also exhibits excellent catalytic ability and durability under acidic and neutral media. The present study opens a new avenue towards the design of metal clusters/single cobalt atoms heterostructures with outstanding performance toward HER and beyond.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000463032200051	Publication Date	2019-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2211-2855	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.343	Times cited	33	Open Access	Not_Open_Access: Available from 01.11.2019
	Notes	; S.Y., Z.P. and H.Z. contributed equally to this work. This work was financed by the National Natural Science Foundation of China (Grant No. 51372186, 51672204, 51701146) and the Fundamental Research Funds for the Central Universities (WUT: 2017III055, 2018III039GX, 2018IVA095). We express heartfelt thanks to Prof. Gaoke Zhang for the supply of computational resources in the School of Resources and Environmental Engineering, Wuhan University of Technology. ;			Approved	Most recent IF: 12.343
	Call Number	UA @ admin @ c:irua:159330			Serial	5240
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	Author	Vermang, B.; Brammertz, G.; Meuris, M.; Schnabel, T.; Ahlswede, E.; Choubrac, L.; Harel, S.; Cardinaud, C.; Arzel, L.; Barreau, N.; van Deelen, J.; Bolt, P.-J.; Bras, P.; Ren, Y.; Jaremalm, E.; Khelifi, S.; Yang, S.; Lauwaert, J.; Batuk, M.; Hadermann, J.; Kozina, X.; Handick, E.; Hartmann, C.; Gerlach, D.; Matsuda, A.; Ueda, S.; Chikyow, T.; Felix, R.; Zhang, Y.; Wilks, R.G.; Baer, M.
	Title	Wide band gap kesterite absorbers for thin film solar cells: potential and challenges for their deployment in tandem devices			Type	A1 Journal article
	Year	2019	Publication	Sustainable Energy & Fuels	Abbreviated Journal
	Volume	3	Issue	9	Pages	2246-2259
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	This work reports on developments in the field of wide band gap Cu2ZnXY4 (with X = Sn, Si or Ge, and Y = S, Se) kesterite thin film solar cells. An overview on recent developments and the current understanding of wide band gap kesterite absorber layers, alternative buffer layers, and suitable transparent back contacts is presented. Cu2ZnGe(S,Se)(4) absorbers with absorber band gaps up to 1.7 eV have been successfully developed and integrated into solar cells. Combining a CdS buffer layer prepared by an optimized chemical bath deposition process with a 1.36 eV band gap absorber resulted in a record Cu2ZnGeSe4 cell efficiency of 7.6%, while the highest open-circuit voltage of 730 mV could be obtained for a 1.54 eV band gap absorber and a Zn(O,S) buffer layer. Employing InZnOx or TiO2 protective top layers on SnO2:In transparent back contacts yields 85-90% of the solar cell performance of reference cells (with Mo back contact). These advances show the potential as well as the challenges of wide band gap kesterites for future applications in high-efficiency and low-cost tandem photovoltaic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000482057500004	Publication Date	2019-06-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access
	Notes	; This project has received funding from the European Union's Horizon 2020 Research and Innovation Program under grant agreement No. 640868. The synchrotron radiation experiments were performed at the SPring-8 beamline BL15XU with the approval of the NIMS Synchrotron X-ray Station (Proposals 2016A4600, 2016B4601, and 2017A4600) and at BESSY II with the approval of HZB. B. Vermang has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Programme (grant agreement no. 715027). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:161785			Serial	5404
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	Author	Milis, K.; Peremans, H.; Springael, J.; Van Passel, S.
	Title	Win-win possibilities through capacity tariffs and battery storage in microgrids			Type	A1 Journal article
	Year	2019	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	113	Issue	113	Pages	109238
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	This paper investigates the impact of capacity tariff design on microgrids. While the possible benefits for utilities of capacity tariffs are well researched, comparatively little work has been done investigating the effects of capacity pricing on prosumers. Through simulating a grid connected microgrid and solving the day-ahead dispatch problem for a calendar year, we show that a well-designed capacity tariff will not only smooth out demand profiles, but could also lead to less erratic charge/discharge cycles in a real-time pricing scenario, lessening battery degradation. These results show that a properly designed capacity tariff has the potential to be beneficial for both the utilities as well as the battery-owning prosumer. Furthermore, we propose a new, heuristic approach to solve the day-ahead economic dispatch problem, which we prove to be effective and efficient. Additionally, we demonstrate that our novel approach does not impose mathematical restrictions such as continuous differentiability of the objective function. We show that the proposed capacity tariff achieves the stated aim of promoting battery storage uptake and that our novel method allows for compression and shorter run times.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000483422600019	Publication Date	2019-07-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	8.05	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:160566			Serial	6279
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	Author	Maes, D.; Van Passel, S.
	Title	Effective bioeconomy policies for the uptake of innovative technologies under resource constraints			Type	A1 Journal article
	Year	2019	Publication	Biomass & Bioenergy	Abbreviated Journal	Biomass Bioenerg
	Volume	120	Issue	120	Pages	91-106
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	The bioeconomy is a shared vision for a future European industry entirely based on organic matter. Authorities support this technological development with subsidies and policies stimulating R&D. One major limitation for the bioeconomy is that R&D and industrial growth require the continuous availability of biomass as a primary resource. This resource dependence is already present during the formative years of new biobased innovations and influences the pilot and demonstration phase of the development. Traditionally, it is assumed that public support for pilot and demonstration initiatives may overcome this hurdle. In this paper, we investigate how this resource constraint limits the effectiveness of bioeconomy policies. The future development of the biobased sector is simulated including the inherent dependence of industrial activity on biomass. We simulate the future growth and technological diversity of an emerging biotechnological sector: the sector of manure transformation in Belgium. The paper reports the evolutions for three policy scenarios. The model explicitly accounts for endogenous innovation and knowledge transfer mechanisms. The results show that policies may have an important impact on the sector structure in the long run, but the sector growth remains ultimately constrained by the availability of inputs. So bioeconomy policies to promote innovation will be less effective, unless mechanisms are included to alleviate the resource constraint.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000454887700011	Publication Date	2018-11-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0961-9534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.219	Times cited	3	Open Access
	Notes	; ;			Approved	Most recent IF: 3.219
	Call Number	UA @ admin @ c:irua:156757			Serial	6191
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	Author	Srivastava, A.; Van Passel, S.; Laes, E.
	Title	Dissecting demand response : a quantile analysis of flexibility, household attitudes, and demographics			Type	A1 Journal article
	Year	2019	Publication	Energy Research and Social Science	Abbreviated Journal
	Volume	52	Issue	52	Pages	169-180
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Demand response (DR) can aid with grid integration of renewables, ensuring security of supply, and reducing generation costs. However, not enough is known about how residential customers’ perceptions of DR shape their response to such programs. This paper offers a deeper understanding of – and reveals the heterogeneity in – this relationship by conducting a quantile regression analysis of a Belgian DR trial, combining data on response with information on household attitudes towards smart appliances. Results overall suggest that improving response requires subtle shifts in electricity consumption behaviour, which can be achieved through changes in user perceptions. Specifically, if customers are inclined to be flexible, a stronger perception of smart appliances as being beneficial can greatly improve response. With those who are less flexible, the cost of smart appliances is a bigger concern. Thus, when designing DR programs, policymakers should aim to promote modest behaviour changes – so as to minimise inconvenience – in customers, by improving awareness on the benefits of smart appliances. Uptake of such DR programs may be improved by explaining the financial benefits or offering incentives to less flexible population segments. Lastly, improving response among older population segments will require a deeper investigation into their concerns.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000468215900016	Publication Date	2019-03-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2214-6296	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited	1	Open Access
	Notes	; This work continued on the results and data of the project Linear that was supported by the Flemish Ministry of Science and organised by the Institute for Science and Technology (IWT). The authors gratefully acknowledge the support extended by Wim Cardinaels at VITO in helping them access the underlying Linear data. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:158910			Serial	6183
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	Author	Daems, N.; De Mot, B.; Choukroun, D.; Van Daele, K.; Li, C.; Hubin, A.; Bals, S.; Hereijgers, J.; Breugelmans, T.
	Title	Nickel-containing N-doped carbon as effective electrocatalysts for the reduction of CO2 to CO in a continuous-flow electrolyzer			Type	A1 Journal article
	Year	2019	Publication	Sustainable energy & fuels	Abbreviated Journal
	Volume	4	Issue	4	Pages	1296-1311
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	Nickel-containing N-doped carbons were synthesized for the electrochemical reduction of CO2 to CO, which is a promising approach to reduce the atmospheric CO2 levels and its negative impact on the environment. Unfortunately, poor performance (activity, selectivity and/or stability) is still a major hurdle for the economical implementation of this type of materials. The electrocatalysts were prepared through an easily up-scalable and easily tunable method based on the pyrolysis of Ni-containing N-doped carbons. Ni–N–AC–B1 synthesized with a high relative amount of nitrogen and nickel with respect to carbon, was identified as the most promising candidate for this reaction based on its partial CO current density (4.2 mA cm−2), its overpotential (0.57 V) and its faradaic efficiency to CO (>99%). This results in unprecedented values for the current density per g active sites (690 A g−1 active sites). Combined with its decent stability and its high performance in an actual electrolyzer setup, this makes it a promising candidate for the electrochemical reduction of CO2 to CO on a larger scale. Finally, the evaluation of this kind of material in a flow-cell setup has been limited and to the best of our knowledge never included an evaluation of several crucial parameters (e.g. electrolyte type, anode composition and membrane type) and is an essential investigation in the move towards up-scaling and ultimately industrial application of this technique. This study resulted in an optimal cell configuration, consisting of Pt as an anode, Fumatech® as the membrane and 1 M KHCO3 and 2 M KOH as catholyte and anolyte, respectively. In conclusion, this research offers a unique combination of electrocatalyst development and reactor optimization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000518690900030	Publication Date	2019-12-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	14	Open Access	OpenAccess
	Notes	; The authors acknowledge sponsoring from the research foundation of Flanders (FWO) in the frame of a post-doctoral grant (12Y3919N – ND). J. Hereijgers was supported through a postdoctoral fellowship (28761) of the Research Foundation Flanders (FWO). This project was co-funded by the Interreg 2 Seas-Program 2014-2020, co-.nanced by the European Fund for Regional Development in the frame of subsidiary contract nr 2S03-019. This work was further performed in the framework of the Catalisti cluster SBO project CO2PERATE (“All renewable CCU based on formic acid integrated in an industrial microgrid”), with the.nancial support of VLAIO (Flemish Agency for Innovation and Entrepreneurship). This project.nally received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). We thank Karen Leyssens for helping with the N<INF>2</INF> physisorption measurements and Kitty Baert (VUB) for analyzing the samples with XPS and Raman. ; sygma			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:165482			Serial	6311
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	Author	Shi, X.; Ronsse, F.; Roegiers, J.; Pieters, J.G.
	Title	3D Eulerian-Eulerian modeling of a screw reactor for biomass thermochemical conversion. Part 1: solids flow dynamics and back-mixing			Type	A1 Journal article
	Year	2019	Publication	Renewable energy	Abbreviated Journal
	Volume	143	Issue		Pages	1465-1476
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Three-dimensional (3D) computational fluid dynamics (CFD) simulations were performed to study solids flow dynamics and solids back-mixing behavior in a screw reactor (designed for thermal conversion of dry biomass particles) based on the Eulerian-Eulerian method. Simulation results were compared against experimental data with respect to filling degree and mean residence time of particles. The mean deviations for filling degree and for mean residence time between simulation and experiment were about 0.01 and 11.4 s, respectively, which shows that the model is reasonably accurate in predicting solids flow behavior in the screw reactor. The solids flow dynamics inside the reactor were discussed. The solids residence time distribution (RTD) was calculated and the degree of solids back-mixing in the forward transportation direction of the reactor was analyzed. It was found that solids being flung over the shaft and solids back-leakage, resulting from the low solids forward transportation velocity at the clearance between the flight and the bottom shell of the screw reactor, were responsible for solids back-mixing. The degree of solids back-mixing can be reduced at higher screw rotating speeds when keeping inlet mass flow rate of solids constant. (C) 2019 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000482686100039	Publication Date	2019-05-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-1481	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:162757			Serial	7384
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	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
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	Author	Srivastava, A.; Van Passel, S.; Kessels, R.; Valkering, P.; Laes, E.
	Title	Reducing winter peaks in electricity consumption: A choice experiment to structure demand response programs			Type	A1 Journal Article
	Year	2020	Publication	Energy Policy	Abbreviated Journal	Energ Policy
	Volume	137	Issue		Pages	111183
	Keywords	A1 Journal Article; Engineering Management (ENM) ;
	Abstract	Winter peaks in Belgian electricity demand are significantly higher than the summer peaks, creating a greater potential for imbalances between demand and supply. This potential is exacerbated because of the risk of outages in its ageing nuclear power plants, which are being phased out in the medium term. This paper conducts a choice experiment to investigate the acceptability of a load control-based demand response program in the winter months. It surveys 186 respondents on their willingness to accept limits on the use of home appliances in return for a compensation. Results indicate that respondents are most affected by the days of the week that their appliance usage would be curtailed, and by the compensation they would receive. The willingness to enroll in a program increases with age, environmental consciousness, home ownership, and lower privacy concerns. The analysis predicts that 95% of the sample surveyed could enroll in a daily load control program for a compen- sation of €41 per household per year. Thus while an initial rollout among older and more pro-environment homeowners could be successful, a wider implementation would require an explanation of its environmental and financial benefits to the population, and a greater consideration of their data privacy concerns.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000515439900040	Publication Date	2019-12-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4215	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9	Times cited		Open Access
	Notes	The authors gratefully acknowledge the guidance offered by the Flemish Electricity Regulatory Agency (VREG), the Flemish Department for Environment, Nature, and Energy (LNE), and Guido Pepermans in designing the experiment. We are also grateful for the translations provided by Loic De Weerdt, and the support extended by Macarena MacLean Larrain in pre-testing the experiment. Finally, Roselinde Kes- sels thanks the Flemish Research Foundation (FWO) for her postdoctoral fellowship and the JMP Division of SAS Institute for further financial support.			Approved	Most recent IF: 9; 2020 IF: 4.14
	Call Number	ENM @ enm @c:irua:167253			Serial	6348
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	Author	Thomassen, G.; Van Passel, S.; Dewulf, J.
	Title	A review on learning effects in prospective technology assessment			Type	A1 journal article
	Year	2020	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	130	Issue		Pages	109937
	Keywords	A1 journal article; Learning effects; Life cycle assessment; Techno-economic assessment; Prospective technology assessment; Learning-by-doing; Learning curve; Progress rate; Experience curve; Engineering Management (ENM) ;
	Abstract	Global environmental problems have urged the need for developing sustainable technologies. However, new technologies that enter the market have often higher economic costs and potentially higher environmental impacts than conventional technologies. This can be explained by learning effects: a production process that is performed for the first time runs less smooth than a production process that has been in operation for years. To obtain a fair estimation of the potential of a new technology, learning effects need to be included. A review on the current literature on learning effects was conducted in order to provide guidelines on how to include learning effects in prospective technology assessment. Based on the results of this review, five recommendations have been formulated and an integration of learning effects in the structure of prospective technology assessment has been proposed. These five recommendations include the combined use of learning effects on the component level and on the end product level; the combined use of learning effects on the technical, economic and environmental level; the combined use of extrapolated values and expert estimates; the combined use of learning-by-doing and learning-by-searching effects and; a tier-based method, including quality criteria, to calculate the learning effect. These five complementary strategies could lead to a clearer perspective on the environmental impact and cost structure of the new technology and a fairer comparison base with conventional technologies, potentially resulting in a faster adoption and a shorter time-to-market for sustainable technologies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000548790900008	Publication Date	2020-06-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	15.9	Times cited		Open Access
	Notes	The authors acknowledge the full financial support received from the Flemish administration via the Steunpunt Circulaire Economie (Policy Research Centre Circular Economy). We would also like to thank the SDEWES conference for the best paper award which was granted to the current paper. The authors declare no competing financial interests. This publication contains the opinions of the authors, not that of the Flemish administration. The Flemish administration will not carry any liability with respect to the use that can be made of the produced data or conclusions.			Approved	Most recent IF: 15.9; 2020 IF: 8.05
	Call Number	ENM @ enm @c:irua:170076			Serial	6389
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	Author	Bogaerts, A.; Centi, G.
	Title	Plasma Technology for CO2 Conversion: A Personal Perspective on Prospects and Gaps			Type	A1 Journal article
	Year	2020	Publication	Frontiers in energy research	Abbreviated Journal	Front. Energy Res.
	Volume	8	Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	There is increasing interest in plasma technology for CO2 conversion because it can operate at mild conditions and it can store fluctuating renewable electricity into value-added compounds and renewable fuels. This perspective paper aims to provide a view on the future for non-specialists who want to understand the role of plasma technology in the new scenario for sustainable and low-carbon energy and chemistry. Thus, it is prepared to give a personal view on future opportunities and challenges. First, we introduce the current state-of-the-art and the potential of plasma-based CO2 conversion. Subsequently, we discuss the challenges to overcome the current limitations and to apply plasma technology on a large scale. The final section discusses the general context and the potential benefits of plasma-based CO2 conversion for our life and the impact on climate change. It also includes a brief analysis on the future scenario for energy and chemical production, and how plasma technology may realize new paths for CO2 utilization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000553392300001	Publication Date	2020-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2296-598X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.4	Times cited		Open Access	OpenAccess
	Notes	We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 810182 – SCOPE ERC Synergy project). We thank A. Berthelot, M. Ramakers, R. Snoeckx, G. Trenchev, and V. Vermeiren for providing the figures used in this article.			Approved	Most recent IF: 3.4; 2020 IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:170136			Serial	6390
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	Author	Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M.
	Title	High performance piezotronic spin transistors using molybdenum disulfide nanoribbon			Type	A1 Journal article
	Year	2020	Publication	Nano Energy	Abbreviated Journal	Nano Energy
	Volume	75	Issue		Pages	104953
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000560729200011	Publication Date	2020-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2211-2855	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	17.6	Times cited	17	Open Access
	Notes	; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ;			Approved	Most recent IF: 17.6; 2020 IF: 12.343
	Call Number	UA @ admin @ c:irua:171123			Serial	6535
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	Author	Erfurt, D.; Koida, T.; Heinemann, M.D.; Li, C.; Bertram, T.; Nishinaga, J.; Szyszka, B.; Shibata, H.; Klenk, R.; Schlatmann, R.
	Title	Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices			Type	A1 Journal article
	Year	2020	Publication	Solar Energy Materials And Solar Cells	Abbreviated Journal	Sol Energ Mat Sol C
	Volume	206	Issue		Pages	110300
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000519653800038	Publication Date	2019-11-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0248	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.9	Times cited	5	Open Access	OpenAccess
	Notes	; This work was supported by the German Federal Ministry for Economic Affairs and Energy under contract number 0325762G (TCO4CIGS). The authors thank M. Hartig, K. Mayer-Stillrich, I. Dorbandt, B. Bunn, M. Kirsch for technical support. C. Li is grateful for financial support from Max Planck Society, Germany and technical support from the MPI FKF StEM group members. ;			Approved	Most recent IF: 6.9; 2020 IF: 4.784
	Call Number	UA @ admin @ c:irua:168668			Serial	6544
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	Author	Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X.
	Title	ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities			Type	A1 Journal article
	Year	2020	Publication	Materials today energy	Abbreviated Journal
	Volume	16	Issue		Pages	Unsp 100392-8
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000539083500049	Publication Date	2020-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2468-6069	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.3	Times cited	13	Open Access
	Notes	; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ;			Approved	Most recent IF: 9.3; 2020 IF: NA
	Call Number	UA @ admin @ c:irua:169752			Serial	6655
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	Author	Yorulmaz, U.; Demiroglu, I.; Cakir, D.; Gulseren, O.; Sevik, C.
	Title	A systematicalab-initioreview of promising 2D MXene monolayers towards Li-ion battery applications			Type	A1 Journal article
	Year	2020	Publication	JPhys Energy	Abbreviated Journal
	Volume	2	Issue	3	Pages	032006
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional materials have been attracting increasing interests because of their outstanding properties for Lithium-ion battery applications. In particular, a material family called MXenes (Mn+1Cn, where n = 1, 2, 3) have been recently attracted immense interest in this respect due to their incomparable fast-charging properties and high capacity promises. In this article, we review the state-of-the-art computational progress on Li-ion battery applications of MXene materials in accordance with our systematical DFT calculations. Structural, mechanical, dynamical, and electrical properties of 20 distinct MXene (M: Sc, Ti, V, Cr, Nb, Mo, Hf, Ta, W, and Zr) have been discussed. The battery performances of these MXene monolayers are further investigated by Li-ion binding energies, open circuit voltage values, and Li migration energy barriers. The experimental and theoretical progress up to date demonstrates particularly the potential of non-terminated or pristine MXene materials in Li ion-storage applications. Stability analyses show most of the pristine MXenes should be achievable, however susceptible to the development progress on the experimental growth procedures. Among pristine MXenes, Ti2C, V2C, Sc2C, and Zr2C compounds excel with their high charge/discharge rate prospect due to their extremely low Li diffusion energy barriers. Considering also their higher predicted gravimetric capacities, Sc, Ti, V, and Zr containing MXenes are more promising for their utilization in energy storage applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000569868600001	Publication Date	2020-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2515-7655	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.9	Times cited		Open Access
	Notes				Approved	Most recent IF: 6.9; 2020 IF: NA
	Call Number	UA @ admin @ c:irua:193748			Serial	7399
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	Author	Van Hoecke, L.; Laffineur, L.; Campe, R.; Perreault, P.; Verbruggen, S.W.; Lenaerts, S.
	Title	Challenges in the use of hydrogen for maritime applications			Type	A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications
	Year	2021	Publication	Energy & Environmental Science	Abbreviated Journal	Energ Environ Sci
	Volume		Issue		Pages
	Keywords	A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications; Sustainable energy, air and water technology (DuEL)
	Abstract	Maritime shipping is a key factor that enables the global economy, however the pressure it exerts on the environment is increasing rapidly. In order to reduce the emissions of harmful greenhouse gasses, the search is on for alternative fuels for the maritime shipping industry. In this work the usefulness of hydrogen and hydrogen carriers is being investigated as a fuel for sea going ships. Due to the low volumetric energy density of hydrogen under standard conditions, the need for efficient storage of this fuel is high. Key processes in the use of hydrogen are discussed, starting with the production of hydrogen from fossil and renewable sources. The focus of this review is different storage methods, and in this work we discuss the storage of hydrogen at high pressure, in liquefied form at cryogenic temperatures and bound to liquid or solid-state carriers. In this work a theoretical introduction to different hydrogen storage methods precedes an analysis of the energy-efficiency and practical storage density of the carriers. In the final section the major challenges and hurdles for the development of hydrogen storage for the maritime industry are discussed. The most likely challenges will be the development of a new bunkering infrastructure and suitable monitoring of the safety to ensure safe operation of these hydrogen carriers on board the ship.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000621101100009	Publication Date	2021-01-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1754-5692	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	29.518	Times cited		Open Access	OpenAccess
	Notes	For the completion of this work we would like to thank, Compagnie Maritime Belge for initial funding 9 of the research into maritime hydrogen storage and the University of Antwerp for funding of the 10 Doctoral Project that allowed for the completion of this work.			Approved	Most recent IF: 29.518
	Call Number	DuEL @ duel @c:irua:174754			Serial	6668
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	Author	Buchmayr, A.; Verhofstadt, E.; Van Ootegem, L.; Sanjuan Delmás, D.; Thomassen, G.; Dewulf, J.
	Title	The path to sustainable energy supply systems: Proposal of an integrative sustainability assessment framework			Type	A1 Journal Article
	Year	2021	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	138	Issue		Pages	110666
	Keywords	A1 Journal Article; Engineering Management (ENM) ;
	Abstract	Energy supply is essential for the functioning and well-being of a society. Decision-makers are faced with the challenge to balance burdens and benefits of energy supply practices with the aim to achieve environmental, economic, and social sustainability. Literature exhibits a broad variety of sustainability assessment frameworks for energy supply technologies. However, there is no consensus on which aspects need to be covered for a comprehensive assessment of sustainability. While some aspects, such as environmental emission damage, receive predominant attention, there is a lack of coverage and adequate quantification for others. This led in the past to an unbalanced basis for decision-making. Based on an analysis of literature, 12 impact categories were identified for the assessment of energy technologies. The analysis included the judgement of quantification approaches regarding their significance for describing the impact categories and their maturity resulting in the proposal of 12 concrete indicators. A framework is proposed to manage and integrate the assessment of single impact categories. The framework produces normalized and weighted output indicators to use in the form of a dashboard or alternatively a single sustainability index for informed decision-making. Finally, the proposed sustainability assessment framework relies on life cycle, local impact, and supply chain risks assessment. It consists of both well-established assessment methods as well as suggestions for new indicators in order to allow a full assessment of all impact categories. It thereby goes beyond the isolated assessment of impacts and offers the basis for comparison of complete energy supply mixes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2020-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321	ISBN		Additional Links
	Impact Factor	8.05	Times cited		Open Access	Not_Open_Access
	Notes	The authors acknowledge the financial support received from the Special Research Fund (Bijzonder Onderzoeksfonds – BOF) of Ghent University under grant agreement number BOF.24Y.2018.003.			Approved	Most recent IF: 8.05
	Call Number	ENM @ enm @			Serial	6680
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	Author	Khelifi, S.; Brammertz, G.; Choubrac, L.; Batuk, M.; Yang, S.; Meuris, M.; Barreau, N.; Hadermann, J.; Vrielinck, H.; Poelman, D.; Neyts, K.; Vermang, B.; Lauwaert, J.
	Title	The path towards efficient wide band gap thin-film kesterite solar cells with transparent back contact for viable tandem application			Type	A1 Journal article
	Year	2021	Publication	Solar Energy Materials And Solar Cells	Abbreviated Journal	Sol Energ Mat Sol C
	Volume	219	Issue		Pages	110824
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Wide band gap thin-film kesterite solar cell based on non-toxic and earth-abundant materials might be a suitable candidate as a top cell for tandem configuration in combination with crystalline silicon as a bottom solar cell. For this purpose and based on parameters we have extracted from electrical and optical characterization techniques of Cu2ZnGeSe4 absorbers and solar cells, a model has been developed to describe the kesterite top cell efficiency limitations and to investigate the different possible configurations with transparent back contact for fourterminal tandem solar cell application. Furthermore, we have studied the tandem solar cell performance in view of the band gap and the transparency of the kesterite top cell and back contact engineering. Our detailed analysis shows that a kesterite top cell with efficiency > 14%, a band gap in the range of 1.5-1.7 eV and transparency above 80% at the sub-band gaps photons energies are required to achieve a tandem cell with higher efficiency than with a single silicon solar cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000591683500002	Publication Date	2020-10-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0248	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.784	Times cited		Open Access	OpenAccess
	Notes	The authors would like to acknowledge the SWInG project financed by the European Union’s Horizon 2020 research and innovation programme under grant agreement No 640868 and the Research Foundation Flanders-Hercules Foundation (FWO-Vlaanderen, project No AUGE/13/16:FT-IMAGER).			Approved	Most recent IF: 4.784
	Call Number	EMAT @ emat @c:irua:174337			Serial	6706
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	Author	Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J.
	Title	Facile dry coating method of high-nickel cathode material by nanostructured fumed alumina (Al2O3) improving the performance of lithium-ion batteries			Type	A1 Journal article
	Year	2021	Publication	Energy technology	Abbreviated Journal
	Volume	9	Issue	4	Pages	2100028
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Surface coating is a crucial method to mitigate the aging problem of high-Ni cathode active materials (CAMs). By avoiding the direct contact of the CAM and the electrolyte, side reactions are hindered. Commonly used techniques like wet or ALD coating are time consuming and costly. Therefore, a more cost-effective coating technique is desirable. Herein, a facile and fast dry powder coating process for CAMs with nanostructured fumed metal oxides are reported. As the model case, the coating of high-Ni NMC (LiNi0.7Mn0.15Co0.15O2) by nanostructured fumed Al2O3 is investigated. A high coverage of the CAM surface with an almost continuous coating layer is achieved, still showing some porosity. Electrochemical evaluation shows a significant increase in capacity retention, cycle life and rate performance of the coated NMC material. The coating layer protects the surface of the CAM successfully and prevents side reactions, resulting in reduced solid electrolyte interface (SEI) formation and charge transfer impedance during cycling. A mechanism on how the coating layer enhances the cycling performance is hypothesized. The stable coating layer effectively prevents crack formation and particle disintegration of the NMC. In depth analysis indicates partial formation of LixAl2O3/LiAlO2 in the coating layer during cycling, enhancing lithium ion diffusivity and thus, also the rate performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000621000700001	Publication Date	2021-01-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2194-4296; 2194-4288	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	25	Open Access	OpenAccess
	Notes	The authors would like to thank Erik Peldszus and Steve Rienecker for the support with scanning electron microscopy and X-ray photoelectron spectroscopy analysis. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. N.G. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Funding from the Flemish Research Fund (FWO) project G0F1320N is acknowledged.; Open access funding enabled and organized by Projekt DEAL.			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:176670			Serial	6724
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	Author	Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C.
	Title	Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes			Type	A1 Journal article
	Year	2021	Publication	Energy Storage Materials	Abbreviated Journal
	Volume	36	Issue		Pages	115-122
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000620584300009	Publication Date	2020-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		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:176654			Serial	6730
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