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	Author	Compernolle, T.; Van Passel, S.; Weyens, N.; Vangronsveld, J.; Lebbe, L.; Thewys, T.
	Title	Groundwater remediation and the cost effectiveness of phytoremediation			Type	A1 Journal article
	Year	2012	Publication	International Journal Of Phytoremediation	Abbreviated Journal	Int J Phytoremediat
	Volume	14	Issue	9	Pages	861-877
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	In 1999, phytoremediation was applied at the site of a Belgian car factory to contain two BTEX plumes. This case study evaluates the cost effectiveness of phytoremediation compared to other remediation options, applying a tailored approach for economic evaluation. Generally, when phytoremediation is addressed as being cost effective, the cost effectiveness is only determined on an average basis. This study however, demonstrates that an incremental analysis may provide a more nuanced conclusion. When the cost effectiveness is calculated on an average basis, in this particular case, the no containment strategy (natural attenuation) has the lowest cost per unit mass removed and hence, should be preferred. However, when the cost effectiveness is determined incrementally, no containment should only be preferred if the value of removing an extra gram of contaminant mass is lower than 320. Otherwise, a permeable reactive barrier should be adopted. A similar analysis is provided for the effect determined on the basis of remediation time. Phytoremediation is preferred compared to no containment if reaching the objective one year earlier is worth 7 000.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304914700004	Publication Date	2012-06-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1522-6514	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.77	Times cited	12	Open Access
	Notes	; ;			Approved	Most recent IF: 1.77; 2012 IF: 1.179
	Call Number	UA @ admin @ c:irua:129862			Serial	6206
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	Author	Lizin, S.; Van Passel, S.; Schreurs, E.
	Title	Farmers' perceived cost of land use restrictions : a simulated purchasing decision using discrete choice experiments			Type	A1 Journal article
	Year	2015	Publication	Land Use Policy	Abbreviated Journal	Land Use Policy
	Volume	46	Issue		Pages	115-124
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	This paper reports on the findings from discrete choice experiments designed to estimate farmers perceived costs of land use restrictions, i.e. crop restrictions, additional fertilizing restrictions, and usage restrictions, as opposed to having no such restrictions. To this end, hypothetical land purchasing decisions were simulated based on the information about productivity, lot size, distance to other land, driving time to home, land use restrictions, and price. Farmers from the Campine area (Belgium) were invited to participate in the survey as the agricultural land in this region still faces the effects of historical heavy metal contamination resulting in crop restrictions. For identical pieces of land, we estimate the perceived cost, calculated as a change in the consumer surplus due to having a land use restriction, to be about 46,000 /ha for the crop restriction, 50,000 /ha for the usage restriction, and 70,000 /ha for the fertilizing restrictions. Assuming this cost to represent a perpetuity, then with a discount rate of 5% the yearly fixed costs respectively equal about 2300 /ha, 2500 /ha, and 3500 /ha.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356110500010	Publication Date	2015-03-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0264-8377	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.089	Times cited	12	Open Access
	Notes	; The authors would like to thank Boerenbond for their help as well as the farmers for their time in responding to the questionnaire. Additionally, Sebastien Lizin thanks the Research Foundation Flanders (FWO) for funding his postdoctoral fellowship, allowing him to revise the manuscript. The authors would also like to thank the anonymous reviewers for helping us to improve the quality of our work. ;			Approved	Most recent IF: 3.089; 2015 IF: 2.631
	Call Number	UA @ admin @ c:irua:129877			Serial	6203
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	Author	Moretti, M.; Van Dael, M.; Malina, R.; Van Passel, S.
	Title	Environmental assessment of waste feedstock mono-dimensional and bio-refinery systems : combining manure co-digestion and municipal waste anaerobic digestion			Type	A1 Journal article
	Year	2018	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	171	Issue	171	Pages	954-961
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Organic municipal solid waste (OMSW) as a feedstock for energy recovery and material recycling offers the potential to reduce environmental impacts from energy production while displacing emission intensive waste management strategies such as landfills. This paper quantifies the environmental impact of anaerobic digestion of local, residual biomass. A life-cycle assessment was jointly performed for two scenarios for the biological treatment of local organic municipal solid waste and pig manure in the Netherlands. Scenario 1 was a separate treatment using anaerobic digestion, and Scenario 2 was a bio-refinery system that integrates anaerobic digestion of organic, municipal solid waste, and co digestion of pig manure and other organic co-substrates \. For both scenarios, electricity and heat are generated using a combined heat and power engine. The bio-refinery system (Scenario 2) contribution to climate change resulted in 0.16 Mt CO2 eq./yr, which is lower than the 0.17 Mt CO2 eq./yr of Scenario 1. Both scenarios are found to be beneficial with regard to resource depletion and human toxicity. The integration of organic waste and manure anaerobic digestion has no effect on acidification and terrestrial eutrophication impact categories, resulting in 43.59 AE eq. and 86.33 AE eq. for Scenario 1 and 43.58 AE eq. and 86.30 AE eq. for Scenario 2. Moreover, Scenario 2 yields 18% lower emissions than those from natural gas derived electricity in the Netherlands. The biorefinery system represents an opportunity to improve organic waste-management strategies, at the same time as reducing the environmental impact from energy production and the costs for surplus manure disposal by producing high-quality commodities that can be traded on the market. (C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000418978100085	Publication Date	2017-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.715	Times cited	12	Open Access
	Notes	; ;			Approved	Most recent IF: 5.715
	Call Number	UA @ admin @ c:irua:148444			Serial	6199
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	Author	Danthurebandara, M.; Van Passel, S.; Vanderreydt, I.; Van Acker, K.
	Title	Environmental and economic performance of plasma gasification in Enhanced Landfill Mining			Type	A1 Journal article
	Year	2015	Publication	Waste Management	Abbreviated Journal	Waste Manage
	Volume	45	Issue		Pages	458-467
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	This paper describes an environmental and economic assessment of plasma gasification, one of the viable candidates for the valorisation of refuse derived fuel from Enhanced Landfill Mining. The study is based on life cycle assessment and life cycle costing. Plasma gasification is benchmarked against conventional incineration, and the study indicates that the process could have significant impact on climate change, human toxicity, particulate matter formation, metal depletion and fossil depletion. Flue gas emission, oxygen usage and disposal of residues (plasmastone) are the major environmental burdens, while electricity production and metal recovery represent the major benefits. Reductions in burdens and improvements in benefits are found when the plasmastone is valorised in building materials instead of landfilling. The study indicates that the overall environmental performance of plasma gasification is better than incineration. The study confirms a trade-off between the environmental and economic performance of the discussed scenarios. Net electrical efficiency and investment cost of the plasma gasification process and the selling price of the products are the major economic drivers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000364796800050	Publication Date	2015-06-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0956-053x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.03	Times cited	12	Open Access
	Notes	; The authors would like to acknowledge the funding of this study by the IWT-O&O ELFM project 'Closing the Circle & Enhanced Landfill Mining as part of the Transition to Sustainable Materials Management' and the valuable discussions with Group Machiels and VITO (Belgium). ;			Approved	Most recent IF: 4.03; 2015 IF: 3.220
	Call Number	UA @ admin @ c:irua:129875			Serial	6197
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	Author	De Schepper, E.; Van Passel, S.; Manca, J.; Thewys, T.
	Title	Combining photovoltaics and sound barriers : a feasibility study			Type	A1 Journal article
	Year	2012	Publication	Renewable Energy	Abbreviated Journal	Renew Energ
	Volume	46	Issue		Pages	297-303
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	In the light of global warming, renewables such as solar photovoltaics (PV) are important to decrease greenhouse gas emissions. An important issue regarding implementation of solar panels on large scale, is the limited available area. Therefore, it can be interesting to combine PV with alternative applications, as a ways of not requiring “additional” space. One example is a photovoltaic noise barrier (PVNB), where a noise barrier located along a highway or railway is used as substructure for PV modules. Even though a PVNB is not a novel concept, the absence of economic assessments in literature can be a barrier to their wider implementation. In this paper, a feasibility study of a PVNB in Belgium is conducted, using a cost benefit analysis including a Monte Carlo sensitivity analysis. Besides purely economic aspects, also ecological benefits are monetized. The sensitivity analysis indicates that the ecological benefit of noise reduction, which is valuated using a noise sensitivity depreciation index applied to real estate prices, is of major importance in determining the net present value of the case study. On the contrary, the impact of reducing CO2 emissions seems to be negligible when expressed in monetary terms. The results suggest that the PVNB as a whole and also its separate components -.e. the PV array and the noise barrier can be profitable projects, when ecological benefits are included. (C) 2012 Elsevier Ltd. All rights reserved.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305169400036	Publication Date	2012-04-06
	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	4.357	Times cited	12	Open Access
	Notes	; ;			Approved	Most recent IF: 4.357; 2012 IF: 2.989
	Call Number	UA @ admin @ c:irua:127555			Serial	6170
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	Author	Ang, F.; Van Passel, S.; Mathijs, E.
	Title	An aggregate resource efficiency perspective on sustainability : a sustainable value application to the EU-15 countries			Type	A1 Journal article
	Year	2011	Publication	Ecological Economics	Abbreviated Journal	Ecol Econ
	Volume	71	Issue		Pages	99-110
	Keywords	A1 Journal article; Economics
	Abstract	The Sustainable Value approach integrates the efficiency with regard to environmental, social and economic resources into a monetary indicator. It gained significant popularity as evidenced by diverse applications at the corporate level. However, its introduction as a measure adhering to the strong sustainability paradigm sparked an ardent debate. This study explores its validity as a macroeconomic strong sustainability measure by applying the Sustainable Value approach to the EU-15 countries. Concretely, we assessed environmental, social and economic resources in combination with the GDP for all EU-15 countries from 1995 to 2006 for three benchmark alternatives. The results show that several countries manage to adequately delink resource use from GDP growth. Furthermore, the remarkable difference in outcome between the national and EU-15 benchmark indicates a possible inefficiency of the current allocation of national resource ceilings imposed by the European institutions. Additionally, by using an effects model we argue that the service degree of the economy and governmental expenditures on social protection and research and development are important determinants of overall resource efficiency. Finally, we sketch out three necessary conditions to link the Sustainable Value approach to the strong sustainability paradigm. (C) 2011 Elsevier B.V. All rights reserved.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000297396700011	Publication Date	2011-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-8009; 1873-6106	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	12	Open Access
	Notes	; ;			Approved	Most recent IF: 2.965; 2011 IF: 2.713
	Call Number	UA @ admin @ c:irua:127560			Serial	6151
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	Author	Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G.
	Title	Growth mechanism of epitaxial SrTiO₃ on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface			Type	A1 Journal article
	Year	2020	Publication	Journal Of Materials Chemistry C	Abbreviated Journal	J Mater Chem C
	Volume	8	Issue	2	Pages	518-527
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000506852400036	Publication Date	2019-10-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526; 2050-7534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.4	Times cited	12	Open Access	OpenAccess
	Notes	; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ;			Approved	Most recent IF: 6.4; 2020 IF: 5.256
	Call Number	UA @ admin @ c:irua:165672			Serial	6298
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	Author	Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D.
	Title	Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	22	Pages	220504-220506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000538941900002	Publication Date	2020-06-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	12	Open Access
	Notes	; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:170201			Serial	6489
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	Author	Bacaksiz, C.; Yagmurcukardes, M.; Peeters, F.M.; Milošević, M.V.
	Title	Hematite at its thinnest limit			Type	A1 Journal article
	Year	2020	Publication	2d Materials	Abbreviated Journal	2D Mater
	Volume	7	Issue	2	Pages	025029
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Motivated by the recent synthesis of two-dimensional alpha-Fe2O3 (Balan et al 2018 Nat. Nanotechnol. 13 602), we analyze the structural, vibrational, electronic and magnetic properties of single- and few-layer alpha-Fe2O3 compared to bulk, by ab initio and Monte-Carlo simulations. We reveal how monolayer alpha-Fe2O3 (hematene) can be distinguished from the few-layer structures, and how they all differ from bulk through observable Raman spectra. The optical spectra exhibit gradual shift of the prominent peak to higher energy, as well as additional features at lower energy when alpha-Fe2O3 is thinned down to a monolayer. Both optical and electronic properties have strong spin asymmetry, meaning that lower-energy optical and electronic activities are allowed for the single-spin state. Finally, our considerations of magnetic properties reveal that 2D hematite has anti-ferromagnetic ground state for all thicknesses, but the critical temperature for Morin transition increases with decreasing sample thickness. On all accounts, the link to available experimental data is made, and further measurements are prompted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000537341000002	Publication Date	2020-01-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.5	Times cited	12	Open Access
	Notes	; This work was supported by Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by Flemish Supercomputer Center(VSC), and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). Part of this work was also supported by FLAG-ERA project TRANS-2D-TMD and TOPBOF-UAntwerp. MY was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 5.5; 2020 IF: 6.937
	Call Number	UA @ admin @ c:irua:170301			Serial	6533
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	Author	Nguyen, H.T.T.; Obeid, M.M.; Bafekry, A.; Idrees, M.; Vu, T.V.; Phuc, H., V; Hieu, N.N.; Le Hoa, T.; Amin, B.; Nguyen, C., V
	Title	Interfacial characteristics, Schottky contact, and optical performance of a graphene/Ga2SSe van der Waals heterostructure: Strain engineering and electric field tunability			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	102	Issue	7	Pages	075414-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional graphene-based van der Waals heterostructures have received considerable interest because of their intriguing characteristics compared with the constituent single-layer two-dimensional materials. Here, we investigate the interfacial characteristics, Schottky contact, and optical performance of graphene/Ga2SSe van der Waals (vdW) heterostructure using first-principles calculations. The effects of stacking patterns, electric gating, and interlayer coupling on the interfacial properties of graphene/Ga2SSe heterostructures are also examined. Our results demonstrate that the Dirac cone of graphene is well preserved at the F point in all stacking patterns due to the weak vdW interactions, which keep the heterostructures feasible such that they can be obtained in further experiments. Moreover, depending on the stacking patterns, a small band gap of about 13-17 meV opens in graphene and has a high carrier mobility, indicating that the graphene/Ga2SSe heterostructures are potential candidates for future high-speed nanoelectronic applications. In the ground state, the graphene/Ga2SSe heterostructures form an n-type Schottky contact. The transformation from an n-type to a p-type Schottky contact or to an Ohmic contact can be forced by electric gating or by varying the interlayer coupling. Our findings could provide physical guidance for designing controllable Schottky nanodevices with high electronic and optical performances.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000557294500006	Publication Date	2020-08-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	12	Open Access
	Notes	; This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant No. 103.01-2019.05. The authors declare that there are no conflicts of interest regarding the publication of this paper. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:171163			Serial	6549
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	Author	Albrecht, W.; Van Aert, S.; Bals, S.
	Title	Three-Dimensional Nanoparticle Transformations Captured by an Electron Microscope			Type	A1 Journal article
	Year	2021	Publication	Accounts Of Chemical Research	Abbreviated Journal	Accounts Chem Res
	Volume	54	Issue	5	Pages	1189-1199
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000626269900011	Publication Date	2021-03-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0001-4842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	20.268	Times cited	12	Open Access	OpenAccess
	Notes	The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128–REALNANO and No. 770887–PICOMETRICS), the Research Foundation Flanders (FWO, G.0267.18N), and the European Commission (EUSMI). The authors furthermore acknowledge funding from the European Union’s Horizon 2020 research and innovation program, ESTEEM3. The authors also acknowledge contributions from all co-workers that have contributed over the years: Thomas Altantzis, Annick De Backer, Joost Batenburg and co-workers, Armand Béché, Eva Bladt, Lewys Jones and co-workers, Luis Liz-Marzán and co-workers, Ivan Lobato, Thais Milagres de Oliveira, Peter Nellist and co-workers, Hugo Pérez Garza and co-workers, Alexander Skorikov, Sara Skrabalak and co-workers, Sandra Van Aert, Alfons van Blaaderen and co-workers, Hans Vanrompay, Staf Van Tendeloo, and Johan Verbeeck.; sygmaSB;			Approved	Most recent IF: 20.268
	Call Number	EMAT @ emat @c:irua:177644			Serial	6752
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	Author	Arslan Irmak, E.; Liu, P.; Bals, S.; Van Aert, S.
	Title	3D Atomic Structure of Supported Metallic Nanoparticles Estimated from 2D ADF STEM Images: A Combination of Atom – Counting and a Local Minima Search Algorithm			Type	A1 Journal article
	Year	2021	Publication	Small methods	Abbreviated Journal	Small Methods
	Volume		Issue		Pages	2101150
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Determining the three-dimensional (3D) atomic structure of nanoparticles (NPs) is critical to understand their structure-dependent properties. It is hereby important to perform such analyses under conditions relevant for the envisioned application. Here, we investigate the 3D structure of supported Au NPs at high temperature, which is of importance to understand their behavior during catalytic reactions. To overcome limitations related to conventional high-resolution electron tomography at high temperature, 3D characterization of NPs with atomic resolution has been performed by applying atom-counting using atomic resolution annular darkfield scanning transmission electron microscopy (ADF STEM) images followed by structural relaxation. However, at high temperatures, thermal displacements, which affect the ADF STEM intensities, should be taken into account. Moreover, it is very likely that the structure of a NP investigated at elevated temperature deviates from a ground state configuration, which is difficult to determine using purely computational energy minimization approaches. In this paper, we therefore propose an optimized approach using an iterative local minima search algorithm followed by molecular dynamics (MD) structural relaxation of candidate structures associated with each local minimum. In this manner, it becomes possible to investigate the 3D atomic structure of supported NPs, which may deviate from their ground state configuration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000716511600001	Publication Date	2021-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2366-9608	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	12	Open Access	OpenAccess
	Notes	This work was supported by the European Research Council (Grant 815128 REALNANO to SB, Grant 770887 PICOMETRICS to SVA, Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0267.18N, G.0502.18N, G.0346.21N).; sygmaSB; esteem3jra; esteem3reported			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:183289			Serial	6820
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	Author	Salzmann, B.B.V.; Wit, J. de; Li, C.; Arenas-Esteban, D.; Bals, S.; Meijerink, A.; Vanmaekelbergh, D.
	Title	Two-Dimensional CdSe-PbSe Heterostructures and PbSe Nanoplatelets: Formation, Atomic Structure, and Optical Properties			Type	A1 Journal article
	Year	2022	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	126	Issue	3	Pages	1513-1522
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000744909200001	Publication Date	2022-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	12	Open Access	OpenAccess
	Notes	H. Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. T. Prins is kindly acknowledged for useful discussions. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO Grant No. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced Grant 692691 “First Step”. J.W. and A.M. acknowledge financial support from the project CHEMIE.PGT.2019.004 of TKI/ Topsector Chemie, which is partly financed by the Dutch NWO. S.B, C.L., and D.A.E. acknowledge financial support from the European ERC Council, ERC Consolidator Grant realnano No. 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant No. 731019 (EUSMI). sygmaSB			Approved	Most recent IF: 3.7
	Call Number	EMAT @ emat @c:irua:185454			Serial	6953
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	Author	Pandey, T.; Covaci, L.; Milošević, M.V.; Peeters, F.M.
	Title	Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending			Type	A1 Journal article
	Year	2021	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	103	Issue	23	Pages	235406
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000657129800006	Publication Date	2021-06-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	12	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:179109			Serial	6996
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	Author	Choo, P.; Arenas-Esteban, D.; Jung, I.; Chang, W.J.; Weiss, E.A.; Bals, S.; Odom, T.W.
	Title	Investigating Reaction Intermediates during the Seedless Growth of Gold Nanostars Using Electron Tomography			Type	A1 Journal article
	Year	2022	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	16	Issue	3	Pages	4408-4414
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Good’s buffers can act both as nucleating and shape- directing agents during the synthesis of anisotropic gold nanostars (AuNS). Although different Good’s buffers can produce AuNS shapes with branches that are oriented along specific crystallographic directions, the mechanism is not fully understood. This paper reports how an analysis of the intermediate structures during AuNS synthesis from HEPES, EPPS, and MOPS Good’s buffers can provide insight into the formation of seedless AuNS. Electron tomography of AuNS structures quenched at early times (minutes) was used to characterize the morphology of the incipient seeds, and later times were used to construct the growth maps. Through this approach, we identified how the crystallinity and shape of the first structures synthesized with different Good’s buffers determine the final AuNS morphologies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000780214300084	Publication Date	2022-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	17.1	Times cited	12	Open Access	OpenAccess
	Notes	This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern’s MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI).; sygmaSB			Approved	Most recent IF: 17.1
	Call Number	EMAT @ emat @c:irua:187930			Serial	7055
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	Author	Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R.
	Title	Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂			Type	A1 Journal article
	Year	2022	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	22	Issue	15	Pages	6268-6275
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000831832100001	Publication Date	2022-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	12	Open Access	OpenAccess
	Notes	This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra			Approved	Most recent IF: 10.8
	Call Number	UA @ admin @ c:irua:189495			Serial	7077
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	Author	Ding, Y.; Maitra, S.; Arenas Esteban, D.; Bals, S.; Vrielinck, H.; Barakat, T.; Roy, S.; Van Tendeloo, G.; Liu, J.; Li, Y.; Vlad, A.; Su, B.-L.
	Title	Photochemical production of hydrogen peroxide by digging pro-superoxide radical carbon vacancies in carbon nitride			Type	A1 Journal article
	Year	2022	Publication	Cell reports physical science	Abbreviated Journal
	Volume	3	Issue	5	Pages	100874-17
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Artificial photosynthesis of H2O2, an environmentally friendly oxidant and a clean fuel, holds great promise. However, improving its efficiency and stability for industrial implementation remains highly challenging. Here, we report the visible-light H2O2 artificial photosynthesis by digging pro-superoxide radical carbon vacancies in three-dimensional hierarchical porous g-C3N4 through a simple hydrolysis-freeze-drying-thermal treatment. A significant electronic structure change is revealed upon the implantation of carbon vacancies, broadening visible-light absorption and facilitating the photogenerated charge separation. The strong electron affinity of the carbon vacancies promotes superoxide radical (O-center dot(2)-) formation, significantly boosting the H2O2 photocatalytic production. The developed photocatalyst shows an H2O2 evolution rate of 6287.5 mM g(-1) h(-1) under visible-light irradiation with a long cycling stability being the best-performing photocatalyst among all reported g-C3N4-based systems. Our work provides fundamental insight into highly active and stable photocatalysts with great potential for safe industrial H2O2 production.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000805830100006	Publication Date	2022-04-28
	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	12	Open Access	OpenAccess
	Notes	Y.D. thanks the China Scholarship Council (201808310127) for financial support. This work is financially supported by the National Natural Science Foundation of China (U1663225) , Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52) of the Chinese Ministry of Education, Program of Introducing Talents of Discipline to Universities-Plan 111 (grant no. B20002) from the Ministry of Science and Technology and the Ministry of Education of China, and the National Key R&D Program of China (2016YFA0202602) . This research was also supported by the European Commission Interreg V France-Wallonie-Vlaanderen project “DepollutAir”.			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:189706			Serial	7090
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	Author	Zhang, H.; Pryds, N.; Park, D.-S.; Gauquelin, N.; Santucci, S.; Christensen, D., V.; Jannis, D.; Chezganov, D.; Rata, D.A.; Insinga, A.R.; Castelli, I.E.; Verbeeck, J.; Lubomirsky, I.; Muralt, P.; Damjanovic, D.; Esposito, V.
	Title	Atomically engineered interfaces yield extraordinary electrostriction			Type	A1 Journal article
	Year	2022	Publication	Nature	Abbreviated Journal
	Volume	609	Issue	7928	Pages	695-700
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Electrostriction is a property of dielectric materials whereby an applied electric field induces a mechanical deformation proportional to the square of that field. The magnitude of the effect is usually minuscule (<10(-19) m(2) V-2 for simple oxides). However, symmetry-breaking phenomena at the interfaces can offer an efficient strategy for the design of new properties(1,2). Here we report an engineered electrostrictive effect via the epitaxial deposition of alternating layers of Gd2O3-doped CeO2 and Er2O3-stabilized delta-Bi2O3 with atomically controlled interfaces on NdGaO3 substrates. The value of the electrostriction coefficient achieved is 2.38 x 10(-14) m(2) V-2, exceeding the best known relaxor ferroelectrics by three orders of magnitude. Our theoretical calculations indicate that this greatly enhanced electrostriction arises from coherent strain imparted by interfacial lattice discontinuity. These artificial heterostructures open a new avenue for the design and manipulation of electrostrictive materials and devices for nano/micro actuation and cutting-edge sensors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000859073900001	Publication Date	2022-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1476-4687	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	12	Open Access	OpenAccess
	Notes	This research was supported by the BioWings project, funded by the European Union’s Horizon 2020, Future and Emerging Technologies programme (grant no. 801267), and by the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 2 (grant no. 48293). N.P. and D.V.C. acknowledge funding from Villum Fonden for the NEED project (no. 00027993) and from the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 3 (grant no. 00069 B). V.E. acknowledges funding from Villum Fonden for the IRIDE project (no. 00022862). N.G. and J.V. acknowledge funding from the GOA project ('Solarpaint') of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from the FWO Project (no. G093417N) from the Flemish Fund for Scientific Research. D.C. acknowledges TOP/BOF funding from the University of Antwerp. This project has received funding from the European Union’s Horizon 2020 Research Infrastructure—Integrating Activities for Advanced Communities—under grant agreement no. 823717-ESTEEM3. We thank T. D. Pomar and A. J. Bergne for English proofreading.; esteem3reported; esteem3TA			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:190576			Serial	7129
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	Author	Reichhardt, C.; Reichhardt, C.J.O.; Milošević, M.V.
	Title	Statics and dynamics of skyrmions interacting with disorder and nanostructures			Type	A1 Journal article
	Year	2022	Publication	Reviews of modern physics	Abbreviated Journal	Rev Mod Phys
	Volume	94	Issue	3	Pages	035005-35061
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Magnetic skyrmions are topologically stable nanoscale particlelike objects that were discovered in 2009. Since that time, intense research interest in the field has led to the identification of numerous compounds that support skyrmions over a range of conditions spanning from cryogenic to room temperatures. Skyrmions can be set into motion under various types of driving, and the combination of their size, stability, and dynamics makes them ideal candidates for numerous applications. At the same time, skyrmions represent a new class of system in which the energy scales of the skyrmion-skyrmion interactions, sample disorder, temperature, and drive can compete. A growing body of work indicates that the static and dynamic states of skyrmions can be influenced strongly by pinning or disorder in the sample; thus, an understanding of such effects is essential for the eventual use of skyrmions in applications. The current state of knowledge regarding individual skyrmions and skyrmion assemblies interacting with quenched disorder or pinning is reviewed. The microscopic mechanisms for skyrmion pinning, including the repulsive and attractive interactions that can arise from impurities, grain boundaries, or nanostructures, are outlined. This is followed by descriptions of depinning phenomena, sliding states over disorder, the effect of pinning on the skyrmion Hall angle, the competition between thermal and pinning effects, the control of skyrmion motion using ordered potential landscapes such as one-or two-dimensional periodic asymmetric substrates, the creation of skyrmion diodes, and skyrmion ratchet effects. Highlighted are the distinctions arising from internal modes and the strong gyrotropic or Magnus forces that cause the dynamical states of skyrmions to differ from those of other systems with pinning, such as vortices in type-II superconductors, charge density waves, or colloidal particles. Throughout this review future directions and open questions related to the and in are also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000861559900001	Publication Date	2022-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0034-6861; 1539-0756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	44.1	Times cited	12	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 44.1
	Call Number	UA @ admin @ c:irua:191507			Serial	7339
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	Author	H. Zhang, N. Gauquelin, G.A. Botton and J.Y.T. Wei
	Title	Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially induced CuO intergrowths			Type	A1 Journal Article
	Year	2013	Publication	Applied Physics Letters	Abbreviated Journal
	Volume	103	Issue		Pages	052606
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	We examine the effect of CuO intergrowths on the superconductivity in epitaxial La 2/3 Ca 1/3 MnO 3 / YBa 2 Cu 3 O 7−δ La2/3Ca1/3MnO3/YBa2Cu3O7−δ (LCMO/YBCO) thin-film heterostructures. Scanning transmission electron microscopy on bilayer LCMO/YBCO thin films revealed double CuO-chain intergrowths which form regions with the 247 lattice structure in the YBCO layer. These nanoscale 247 regions do not appear in x-ray diffraction, but can physically account for the reduced critical temperature (Tc) of bilayer thin films relative to unilayer films with the same YBCO thickness, at least down to ∼25 nm. We attribute the CuO intergrowths to the bilayer heteroepitaxial mismatch and the Tc reduction to the generally lower Tc seen in bulk 247 samples. These epitaxially-induced CuO intergrowths provide a microstructural mechanism for the attenuation of superconductivity in LCMO/YBCO heterostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322723000063	Publication Date	2013-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	12	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4546
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