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	Author	Jenkinson, K.; Spadaro, M.C.; Golovanova, V.; Andreu, T.; Morante, J.R.; Arbiol, J.; Bals, S.
	Title	Direct operando visualization of metal support interactions induced by hydrogen spillover during CO₂ hydrogenation			Type	A1 Journal article
	Year	2023	Publication	Advanced materials	Abbreviated Journal
	Volume	35	Issue	51	Pages	2306447-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The understanding of catalyst active sites is a fundamental challenge for the future rational design of optimized and bespoke catalysts. For instance, the partial reduction of Ce4+ surface sites to Ce3+ and the formation of oxygen vacancies are critical for CO2 hydrogenation, CO oxidation, and the water gas shift reaction. Furthermore, metal nanoparticles, the reducible support, and metal support interactions are prone to evolve under reaction conditions; therefore a catalyst structure must be characterized under operando conditions to identify active states and deduce structure-activity relationships. In the present work, temperature-induced morphological and chemical changes in Ni nanoparticle-decorated mesoporous CeO2 by means of in situ quantitative multimode electron tomography and in situ heating electron energy loss spectroscopy, respectively, are investigated. Moreover, operando electron energy loss spectroscopy is employed using a windowed gas cell and reveals the role of Ni-induced hydrogen spillover on active Ce3+ site formation and enhancement of the overall catalytic performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001106139400001	Publication Date	2023-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	29.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 29.4; 2023 IF: 19.791
	Call Number	UA @ admin @ c:irua:201143			Serial	9022
Permanent link to this record



	Author	Manzaneda-Gonzalez, V.; Jenkinson, K.; Pena-Rodriguez, O.; Borrell-Grueiro, O.; Trivino-Sanchez, S.; Banares, L.; Junquera, E.; Espinosa, A.; Gonzalez-Rubio, G.; Bals, S.; Guerrero-Martinez, A.
	Title	From multi- to single-hollow trimetallic nanocrystals by ultrafast heating			Type	A1 Journal article
	Year	2023	Publication	Chemistry of materials	Abbreviated Journal
	Volume	35	Issue	22	Pages	9603-9612
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Metal nanocrystals (NCs) display unique physicochemical features that are highly dependent on nanoparticle dimensions, anisotropy, structure, and composition. The development of synthesis methodologies that allow us to tune such parameters finely emerges as crucial for the application of metal NCs in catalysis, optical materials, or biomedicine. Here, we describe a synthetic methodology to fabricate hollow multimetallic heterostructures using a combination of seed-mediated growth routes and femtosecond-pulsed laser irradiation. The envisaged methodology relies on the coreduction of Ag and Pd ions on gold nanorods (Au NRs) to form Au@PdAg core-shell nanostructures containing small cavities at the Au-PdAg interface. The excitation of Au@PdAg NRs with low fluence femtosecond pulses was employed to induce the coalescence and growth of large cavities, forming multihollow anisotropic Au@PdAg nanostructures. Moreover, single-hollow alloy AuPdAg could be achieved in high yield by increasing the irradiation energy. Advanced electron microscopy techniques, energy-dispersive X-ray spectroscopy (EDX) tomography, X-ray absorption near-edge structure (XANES) spectroscopy, and finite differences in the time domain (FDTD) simulations allowed us to characterize the morphology, structure, and elemental distribution of the irradiated NCs in detail. The ability of the reported synthesis route to fabricate multimetallic NCs with unprecedented hollow nanostructures offers attractive prospects for the fabrication of tailored high-entropy alloy nanoparticles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001110623500001	Publication Date	2023-11-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756; 1520-5002	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.6	Times cited	2	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.6; 2023 IF: 9.466
	Call Number	UA @ admin @ c:irua:202144			Serial	9040
Permanent link to this record



	Author	Van den Hoek, J.; Daems, N.; Arnouts, S.; Hoekx, S.; Bals, S.; Breugelmans, T.
	Title	Improving stability of CO₂ electroreduction by incorporating Ag NPs in N-doped ordered mesoporous carbon structures			Type	A1 Journal article
	Year	2024	Publication	ACS applied materials and interfaces	Abbreviated Journal
	Volume	16	Issue	6	Pages	6931-6947
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	The electroreduction of carbon dioxide (eCO2RR) to CO using Ag nanoparticles as an electrocatalyst is promising as an industrial carbon capture and utilization (CCU) technique to mitigate CO2 emissions. Nevertheless, the long-term stability of these Ag nanoparticles has been insufficient despite initial high Faradaic efficiencies and/or partial current densities. To improve the stability, we evaluated an up-scalable and easily tunable synthesis route to deposit low-weight percentages of Ag nanoparticles (NPs) on and into the framework of a nitrogen-doped ordered mesoporous carbon (NOMC) structure. By exploiting this so-called nanoparticle confinement strategy, the nanoparticle mobility under operation is strongly reduced. As a result, particle detachment and agglomeration, two of the most pronounced electrocatalytic degradation mechanisms, are (partially) blocked and catalyst durability is improved. Several synthesis parameters, such as the anchoring agent, the weight percentage of Ag NPs, and the type of carbonaceous support material, were modified in a controlled manner to evaluate their respective impact on the overall electrochemical performance, with a strong emphasis on operational stability. The resulting powders were evaluated through electrochemical and physicochemical characterization methods, including X-ray diffraction (XRD), N2-physisorption, Inductively coupled plasma mass spectrometry (ICP-MS), scanning electron microscopy (SEM), SEM-energy-dispersive X-ray spectroscopy (SEM-EDS), high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), STEM-EDS, electron tomography, and X-ray photoelectron spectroscopy (XPS). The optimized Ag/soft-NOMC catalysts showed both a promising selectivity (∼80%) and stability compared with commercial Ag NPs while decreasing the loading of the transition metal by more than 50%. The stability of both the 5 and 10 wt % Ag/soft-NOMC catalysts showed considerable improvements by anchoring the Ag NPs on and into a NOMC framework, resulting in a 267% improvement in CO selectivity after 72 h (despite initial losses) compared to commercial Ag NPs. These results demonstrate the promising strategy of anchoring Ag NPs to improve the CO selectivity during prolonged experiments due to the reduced mobility of the Ag NPs and thus enhanced stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001158812100001	Publication Date	2023-12-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	9.5	Times cited		Open Access	Not_Open_Access: Available from 21.06.2024
	Notes				Approved	Most recent IF: 9.5; 2024 IF: 7.504
	Call Number	UA @ admin @ c:irua:202309			Serial	9045
Permanent link to this record



	Author	Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S.
	Title	Low-dose 4D-STEM tomography for beam-sensitive nanocomposites			Type	A1 Journal article
	Year	2023	Publication	ACS materials letters	Abbreviated Journal
	Volume	6	Issue	1	Pages	165-173
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001141178500001	Publication Date	2023-12-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2639-4979	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes	This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist).			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:202771			Serial	9053
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	Author	Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S.
	Title	Nanocluster superstructures assembled via surface ligand switching at high temperature			Type	A1 Journal article
	Year	2023	Publication	Nature synthesis	Abbreviated Journal
	Volume	2	Issue	9	Pages	828-837
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001124824000001	Publication Date	2023-05-01
	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	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:202180			Serial	9060
Permanent link to this record



	Author	Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J.
	Title	Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope”			Type	Dataset
	Year	2023	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:203389			Serial	9100
Permanent link to this record



	Author	Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J.
	Title	3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation			Type	A1 Journal article
	Year	2024	Publication	Carbon Energy	Abbreviated Journal
	Volume		Issue		Pages	e559
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001223583600001	Publication Date	2024-05-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2637-9368	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:206000			Serial	9133
Permanent link to this record



	Author	Lelouche, S.N.K.; Lemir, I.; Biglione, C.; Craig, T.; Bals, S.; Horcajada, P.
	Title	AuNP/MIL-88B-NH₂ nanocomposite for the valorization of nitroarene by green catalytic hydrogenation			Type	A1 Journal article
	Year	2024	Publication	Chemistry: a European journal	Abbreviated Journal
	Volume		Issue		Pages	1-10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The efficiency of a catalytic process is assessed based on conversion, yield, and time effectiveness. However, these parameters are insufficient for evaluating environmentally sustainable research. As the world is urged to shift towards green catalysis, additional factors such as reaction media, raw material availability, sustainability, waste minimization and catalyst biosafety, need to be considered to accurately determine the efficacy and sustainability of the process. By combining the high porosity and versatility of metal organic frameworks (MOFs) and the activity of gold nanoparticles (AuNPs), efficient, cyclable and biosafe composite catalysts can be achieved. Thus, a composite based on AuNPs and the nanometric flexible porous iron(III) aminoterephthalate MIL-88B-NH2 was successfully synthesized and fully characterized. This nanocomposite was tested as catalyst in the reduction of nitroarenes, which were identified as anthropogenic water pollutants, reaching cyclable high conversion rates at short times for different nitroarenes. Both synthesis and catalytic reactions were performed using green conditions, and even further tested in a time-optimizing one-pot synthesis and catalysis experiment. The sustainability and environmental impact of the catalytic conditions were assessed by green metrics. Thus, this study provides an easily implementable synthesis, and efficient catalysis, while minimizing the environmental and health impact of the process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001204094600001	Publication Date	2024-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-6539	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:205426			Serial	9135
Permanent link to this record



	Author	Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S.
	Title	Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning			Type	Dataset
	Year	2024	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic‐resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state‐of‐the‐art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark‐field scanning transmission electron microscopy enables the acquisition of ten high‐resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allows resolving the real‐time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:205843			Serial	9143
Permanent link to this record



	Author	Morad, V.; Stelmakh, A.; Svyrydenko, M.; Feld, L.G.; Boehme, S.C.; Aebli, M.; Affolter, J.; Kaul, C.J.; Schrenker, N.J.; Bals, S.; Sahin, Y.; Dirin, D.N.; Cherniukh, I.; Raino, G.; Baumketner, A.; Kovalenko, M.V.
	Title	Designer phospholipid capping ligands for soft metal halide nanocrystals			Type	A1 Journal article
	Year	2024	Publication	Nature	Abbreviated Journal
	Volume	626	Issue		Pages	542-548
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is inextricable from their surfaces. The functionalization of lead halide perovskite NCs1-5 poses a formidable challenge because of their structural lability, unlike the well-established covalent ligand capping of conventional semiconductor NCs6,7. We posited that the vast and facile molecular engineering of phospholipids as zwitterionic surfactants can deliver highly customized surface chemistries for metal halide NCs. Molecular dynamics simulations implied that ligand-NC surface affinity is primarily governed by the structure of the zwitterionic head group, particularly by the geometric fitness of the anionic and cationic moieties into the surface lattice sites, as corroborated by the nuclear magnetic resonance and Fourier-transform infrared spectroscopy data. Lattice-matched primary-ammonium phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites (FAPbBr3 and MAPbBr3 (FA, formamidinium; MA, methylammonium)) and lead-free metal halide NCs. The molecular structure of the organic ligand tail governs the long-term colloidal stability and compatibility with solvents of diverse polarity, from hydrocarbons to acetone and alcohols. These NCs exhibit photoluminescence quantum yield of more than 96% in solution and solids and minimal photoluminescence intermittency at the single particle level with an average ON fraction as high as 94%, as well as bright and high-purity (about 95%) single-photon emission. Phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites and lead-free metal halide nanocrystals, which then exhibit enhanced robustness and optical properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001176943100001	Publication Date	2023-12-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0028-0836; 1476-4687	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:204796			Serial	9144
Permanent link to this record



	Author	Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M.
	Title	Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning			Type	A1 Journal article
	Year	2024	Publication	Advanced Science	Abbreviated Journal
	Volume		Issue		Pages	1-13
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001206888000001	Publication Date	2024-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2198-3844	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:205442			Serial	9171
Permanent link to this record



	Author	Van Tendeloo, G.; Bals, S.; Van Aert, S.; Verbeeck, J.; van Dyck, D.
	Title	Advanced electron microscopy for advanced materials			Type	A1 Journal article
	Year	2012	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	24	Issue	42	Pages	5655-5675
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The idea of this Review is to introduce newly developed possibilities of advanced electron microscopy to the materials science community. Over the last decade, electron microscopy has evolved into a full analytical tool, able to provide atomic scale information on the position, nature, and even the valency atoms. This information is classically obtained in two dimensions (2D), but can now also be obtained in 3D. We show examples of applications in the field of nanoparticles and interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000310602200001	Publication Date	2012-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	107	Open Access
	Notes	This work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No 246791 – COUNTATOMS. J.V. Acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium). The Qu-Ant-EM microscope was partly funded by the Hercules Fund from the Flemish Government. We thank Rafal Dunin-Borkowski for providing Figure 5d. The authors would like to thank the colleagues who have contributed to this work over the years, including K.J. Batenburg, R. Erni, B. Goris, F. Leroux, H. Lichte, A. Lubk, B. Partoens, M. D. Rossell, P. Schattschneider, B. Schoeters, D. Schryvers, H. Tan, H. Tian, S. Turner, M. van Huis. ECASJO_;			Approved	Most recent IF: 19.791; 2012 IF: 14.829
	Call Number	UA @ lucian @ c:irua:100470UA @ admin @ c:irua:100470			Serial	70
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	Author	Lentijo-Mozo, S.; Tan, R.P.; Garcia-Marcelot, C.; Altantzis, T.; Fazzini, P.F.; Hungria, T.; Cormary, B.; Gallagher, J.R.; Miller, J.T.; Martinez, H.; Schrittwieser, S.; Schotter, J.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Gatel, C.; Soulantica, K.
	Title	Air- and water-resistant noble metal coated ferromagnetic cobalt nanorods			Type	A1 Journal article
	Year	2015	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	9	Issue	9	Pages	2792-2804
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Cobalt nanorods possess ideal magnetic properties for applications requiring magnetically hard nanoparticles. However, their exploitation is undermined by their sensitivity toward oxygen and water, which deteriorates their magnetic properties. The development of a continuous metal shell inert to oxidation could render them stable, opening perspectives not only for already identified applications but also for uses in which contact with air and/or aqueous media is inevitable. However, the direct growth of a conformal noble metal shell on magnetic metals is a challenge. Here, we show that prior treatment of Co nanorods with a tin coordination compound is the crucial step that enables the subsequent growth of a continuous noble metal shell on their surface, rendering them air- and water-resistant, while conserving the monocrystallity, metallicity and the magnetic properties of the Co core. Thus, the as-synthesized coreshell ferromagnetic nanorods combine high magnetization and strong uniaxial magnetic anisotropy, even after exposure to air and water, and hold promise for successful implementation in in vitro biodiagnostics requiring probes of high magnetization and anisotropic shape.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000351791800055	Publication Date	2015-03-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	25	Open Access	OpenAccess
	Notes	312483 Esteem2; 246791 Countatoms; 335078 Colouratom; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 13.942; 2015 IF: 12.881
	Call Number	c:irua:125380 c:irua:125380			Serial	87
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	Author	Pfannmöller, M.; Heidari, H.; Nanson, L.; Lozman, O.R.; Chrapa, M.; Offermans, T.; Nisato, G.; Bals, S.
	Title	Quantitative Tomography of Organic Photovoltaic Blends at the Nanoscale			Type	A1 Journal article
	Year	2015	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	15	Issue	15	Pages	6634-6642
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The success of semiconducting organic materials has enabled green technologies for electronics, lighting, and photovoltaics. However, when blended together, these materials have also raised novel fundamental questions with respect to electronic, optical, and thermodynamic properties. This is particularly important for organic photovoltaic cells based on the bulk heterojunction. Here, the distribution of nanoscale domains plays a crucial role depending on the specific device structure. Hence, correlation of the aforementioned properties requires 3D nanoscale imaging of materials domains, which are embedded in a multilayer device. Such visualization has so far been elusive due to lack of contrast, insufficient signal, or resolution limits. In this Letter, we introduce spectral scanning transmission electron tomography for reconstruction of entire volume plasmon spectra from rod-shaped specimens. We provide 3D structural correlations and compositional mapping at a resolution of approximately 7 nm within advanced organic photovoltaic tandem cells. Novel insights that are obtained from quantitative 3D analyses reveal that efficiency loss upon thermal annealing can be attributed to subtle, fundamental blend properties. These results are invaluable in guiding the design and optimization of future devices in plastic electronics applications and provide an empirical basis for modeling and simulation of organic solar cells.
	Address	EMAT-University of Antwerp , Groenenborgerlaan 171, B-2020 Antwerp, Belgium
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000363003100052	Publication Date	2015-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	26	Open Access	OpenAccess
	Notes	This work was supported by the FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7-contract num. 287594). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). M.P. gratefully acknowledges the SIM NanoForce program for their financial support. We acknowledge AGFA for providing the neutral PEDOT:PSS and GenesInk for the ZnO nanoparticles. We would like to thank Stijn Van den broeck for extensive support on FIB sample preparation. M.P. and H.H. thank Daniele Zanaga for the many fruitful discussions.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2015 IF: 13.592
	Call Number	c:irua:129423 c:irua:129423			Serial	3973
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	Author	Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C.
	Title	Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering			Type	A1 Journal article
	Year	2014	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	6	Issue	24	Pages	14991-14998
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000345458200051	Publication Date	2014-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	41	Open Access	OpenAccess
	Notes	239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 7.367; 2014 IF: 7.394
	Call Number	UA @ lucian @ c:irua:122227			Serial	169
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	Author	Van Aert, S.; Verbeeck, J.; Bals, S.; Erni, R.; van Dyck, D.; Van Tendeloo, G.
	Title	Atomic resolution mapping using quantitative high-angle annular dark field scanning transmission electron microscopy			Type	A1 Journal article
	Year	2009	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	15	Issue	S:2	Pages	464-465
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000208119100230	Publication Date	2009-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.891; 2009 IF: 3.035
	Call Number	UA @ lucian @ c:irua:96555UA @ admin @ c:irua:96555			Serial	178
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	Author	Yalcin, A.O.; Fan, Z.; Goris, B.; Li, W.F.; Koster, R.S.; Fang, C.M.; van Blaaderen, A.; Casavola, M.; Tichelaar, F.D.; Bals, S.; Van Tendeloo, G.; Vlugt, T.J.H.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.;
	Title	Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	6	Pages	3661-3667
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Here, we show a novel solidsolidvapor (SSV) growth mechanism whereby epitaxial growth of heterogeneous semiconductor nanowires takes place by evaporation-induced cation exchange. During heating of PbSe-CdSe nanodumbbells inside a transmission electron microscope (TEM), we observed that PbSe nanocrystals grew epitaxially at the expense of CdSe nanodomains driven by evaporation of Cd. Analysis of atomic-resolution TEM observations and detailed atomistic simulations reveals that the growth process is mediated by vacancies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000337337100106	Publication Date	2014-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	42	Open Access	OpenAccess
	Notes	262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:117027			Serial	179
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	Author	Egoavil, R.; Tan, H.; Verbeeck, J.; Bals, S.; Smith, B.; Kuiper, B.; Rijnders, G.; Koster, G.; Van Tendeloo, G.
	Title	Atomic scale investigation of a PbTiO₃/SrRuO₃/DyScO₃ heterostructure			Type	A1 Journal article
	Year	2013	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	102	Issue	22	Pages	223106-5
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	An epitaxial PbTiO3 thin film grown on self-organized crystalline SrRuO3 nanowires deposited on a DyScO3 substrate with ordered DyO and ScO2 chemical terminations is investigated by transmission electron microscopy. In this PbTiO3/SrRuO3/DyScO3 heterostructure, the SrRuO3 nanowires are assumed to grow on only one type of substrate termination. Here, we report on the structure, morphology, and chemical composition analysis of this heterostructure. Electron energy loss spectroscopy reveals the exact termination sequence in this complex structure. The energy loss near-edge structure of the Ti-L-2,L-3, Sc-L-2,L-3, and O K edges shows intrinsic interfacial electronic reconstruction. Furthermore, PbTiO3 domain walls are observed to start at the end of the nanowires resulting in atomic steps on the film surface. (C) 2013 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000320621600070	Publication Date	2013-06-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	12	Open Access
	Notes	Ifox; Esteem2; Countatoms; Vortex; esteem2jra3 ECASJO;			Approved	Most recent IF: 3.411; 2013 IF: 3.515
	Call Number	UA @ lucian @ c:irua:109606UA @ admin @ c:irua:109606			Serial	185
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	Author	Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E.
	Title	Chabazite : stable cation-exchanger in hyper alkaline concrete pore water			Type	A1 Journal article
	Year	2015	Publication	Environmental science and technology	Abbreviated Journal	Environ Sci Technol
	Volume	49	Issue	49	Pages	2358-2365
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000349806400047	Publication Date	2015-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-936X;1520-5851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.198	Times cited	13	Open Access	OpenAccess
	Notes	This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 6.198; 2015 IF: 5.330
	Call Number	c:irua:127695			Serial	307
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	Author	Liakakos, N.; Gatel, C.; Blon, T.; Altantzis, T.; Lentijo-Mozo, S.; Garcia-Marcelot, C.; Lacroix, L.M.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Soulantica, K.
	Title	CoFe nanodumbbells : synthesis, structure, and magnetic properties			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	5	Pages	2747-2754
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	We report the solution phase synthesis, the structural analysis, and the magnetic properties of hybrid nanostructures combining two magnetic metals. These nano-objects are characterized by a remarkable shape, combining Fe nanocubes on Co nanorods. The topological composition, the orientation relationship, and the growth steps have been studied by advanced electron microscopy techniques, such as HRTEM, electron tomography, and state-of-the-art 3-dimensional elemental mapping by EDX tomography. The soft iron nanocubes behave as easy nucleation centers that induce the magnetization reversal of the entire nanohybrid, leading to a drastic modification of the overall effective magnetic anisotropy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000336074800080	Publication Date	2014-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	27	Open Access	OpenAccess
	Notes	The authors thank the ANR for the project “Batmag”, the French national project EMMA (ANR12 BS10 013 01), the European Commission for the FP7 NAMDIATREAM project (EU NMP4-LA-2010-246479), and the METSA network for the HRTEM. This has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative- I3). It was also supported by Programme Investissements d’Avenir under the program ANR-11-IDEX-0002-02, reference ANR-10-LABX-0037-NEXT. The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 24691-COUNTATOMS and ERC Starting Grant # 335078-COLOURATOMS).; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:116953			Serial	377
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	Author	Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G.
	Title	Competing forces in the self-assembly of coupled ZnO nanopyramids			Type	A1 Journal article
	Year	2015	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	9	Issue	9	Pages	3685-3694
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353867000030	Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	21	Open Access	OpenAccess
	Notes	Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 13.942; 2015 IF: 12.881
	Call Number	c:irua:125978			Serial	434
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	Author	Ennaert, T.; Geboers, J.; Gobechiya, E.; Courtin, C.M.; Kurttepeli, M.; Houthoofd, K.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Bals, S.; Jacobs, P.A.; Sels, B.F.
	Title	Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water			Type	A1 Journal article
	Year	2015	Publication	ACS catalysis	Abbreviated Journal	Acs Catal
	Volume	5	Issue	5	Pages	754-768
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000349275300031	Publication Date	2014-12-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435;2155-5435;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.614	Times cited	65	Open Access	OpenAccess
	Notes	335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 10.614; 2015 IF: 9.312
	Call Number	c:irua:125288			Serial	474
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	Author	Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D.
	Title	Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	11	Pages	6257-6262
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000345723800036	Publication Date	2014-10-27
	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	12.712	Times cited	43	Open Access	OpenAccess
	Notes	Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:122209			Serial	490
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	Author	van den Broek, W.; Rosenauer, A.; Goris, B.; Martinez, G.T.; Bals, S.; Van Aert, S.; van Dyck, D.
	Title	Correction of non-linear thickness effects in HAADF STEM electron tomography			Type	A1 Journal article
	Year	2012	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	116	Issue		Pages	8-12
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	In materials science, high angle annular dark field scanning transmission electron microscopy is often used for tomography at the nanometer scale. In this work, it is shown that a thickness dependent, non-linear damping of the recorded intensities occurs. This results in an underestimated intensity in the interior of reconstructions of homogeneous particles, which is known as the cupping artifact. In this paper, this non-linear effect is demonstrated in experimental images taken under common conditions and is reproduced with a numerical simulation. Furthermore, an analytical derivation shows that these non-linearities can be inverted if the imaging is done quantitatively, thus preventing cupping in the reconstruction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000304473700002	Publication Date	2012-03-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	67	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2012 IF: 2.470
	Call Number	UA @ lucian @ c:irua:96558			Serial	518
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	Author	Lin, F.; Meng; Kukueva, E.; Altantzis, T.; Mertens, M.; Bals, S.; Cool, P.; Van Doorslaer, S.
	Title	Direct-synthesis method towards copper-containing periodic mesoporous organosilicas : detailed investigation of the copper distribution in the material			Type	A1 Journal article
	Year	2015	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	44	Issue	44	Pages	9970-9979
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	Three-dimensional cubic Fm (3) over barm mesoporous copper-containing ethane-bridged PMO materials have been prepared through a direct-synthesis method at room temperature in the presence of cetyltrimethylammonium bromide as surfactant. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques, including XRD, UV-Vis-Dr, TEM, elemental mapping, continuous- wave and pulsed EPR spectroscopy. The results show that at lower copper loading, the Cu2+ species are well dispersed in the Cu-PMO materials, and mainly exist as mononuclear Cu2+ species. At higher copper loading amount, Cu2+ clusters are observed in the materials, but the distribution of the Cu2+ species is still much better in the Cu-PMO materials prepared through the direct-synthesis method than in a Cu-containing PMO material prepared through an impregnation method. Moreover, the evolution of the copper incorporation during the PMO synthesis has been followed by EPR. The results show that the immobilization of the Cu2+ ion/complex and the formation of the PMO materials are taking place simultaneously. The copper ions are found to be situated on the inner surface of the mesopores of the materials and are accessible, which will be beneficial for the catalytic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000355000700028	Publication Date	2015-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9226;1477-9234;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.029	Times cited	11	Open Access	OpenAccess
	Notes	Goa-Bof; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 4.029; 2015 IF: 4.197
	Call Number	c:irua:126422			Serial	725
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	Author	Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A.
	Title	Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	5161-5169
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000359499100003	Publication Date	2015-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	39	Open Access	OpenAccess
	Notes	J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:127758			Serial	3977
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	Author	Bladt, E.; Pelt, D.M.; Bals, S.; Batenburg, K.J.
	Title	Electron tomography based on highly limited data using a neural network reconstruction technique			Type	A1 Journal article
	Year	2015	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	158	Issue	158	Pages	81-88
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Gold nanoparticles are studied extensively due to their unique optical and catalytical properties. Their exact shape determines the properties and thereby the possible applications. Electron tomography is therefore often used to examine the three-dimensional (3D) shape of nanoparticles. However, since the acquisition of the experimental tilt series and the 3D reconstructions are very time consuming, it is difficult to obtain statistical results concerning the 3D shape of nanoparticles. Here, we propose a new approach for electron tomography that is based on artificial neural networks. The use of a new reconstruction approach enables us to reduce the number of projection images with a factor of 5 or more. The decrease in acquisition time of the tilt series and use of an efficient reconstruction algorithm allows us to examine a large amount of nanoparticles in order to retrieve statistical results concerning the 3D shape.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000361574800011	Publication Date	2015-07-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	25	Open Access	OpenAccess
	Notes	335078 COLOURATOM; FWO; COST Action MP1207; 312483 ESTEEM2; esteem2jra4; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 2.843; 2015 IF: 2.436
	Call Number	c:irua:126675 c:irua:126675			Serial	988
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	Author	Huijben, M.; Rijnders, G.; Blank, D.H.A.; Bals, S.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.; Brinkman, A.; Hilgenkamp, H.
	Title	Electronically coupled complementary interfaces between perovskite band insulators			Type	A1 Journal article
	Year	2006	Publication	Nature materials	Abbreviated Journal	Nat Mater
	Volume	5	Issue		Pages	556-560
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000238708900021	Publication Date	2006-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1476-1122;1476-4660;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	39.737	Times cited	315	Open Access
	Notes	Fwo			Approved	Most recent IF: 39.737; 2006 IF: 19.194
	Call Number	UA @ lucian @ c:irua:59713UA @ admin @ c:irua:59713			Serial	1019
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	Author	Breynaert, E.; Emmerich, J.; Mustafa, D.; Bajpe, S.R.; Altantzis, T.; Van Havenbergh, K.; Taulelle, F.; Bals, S.; Van Tendeloo, G.; Kirschhock, C.E.A.; Martens, J.A.;
	Title	Enhanced self-assembly of metal oxides and metal-organic frameworks from precursors with magnetohydrodynamically induced long-lived collective spin states			Type	A1 Journal article
	Year	2014	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	26	Issue	30	Pages	5173-5178
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Magneto-hydrodynamic generation of long-lived collective spin states and their impact on crystal morphology is demonstrated for three different, technologically relevant materials: COK-16 metal organic framework, manganese oxide nanotubes, and vanadium oxide nano-scrolls.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000340546300015	Publication Date	2014-06-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	7	Open Access	OpenAccess
	Notes	IAP-PAI; Marie Curie IEF; 262348 ESMI; 335078 COLOURATOM; 246791 COUNTATOMS; IWT; Methusalem; FWO; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 19.791; 2014 IF: 17.493
	Call Number	UA @ lucian @ c:irua:118827			Serial	1053
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	Author	Samal, D.; Tan, H.; Molegraaf, H.; Kuiper, B.; Siemons, W.; Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Takamura, Y.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
	Title	Experimental evidence for oxygen sublattice control in polar infinite layer SrCuO₂			Type	A1 Journal article
	Year	2013	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	111	Issue	9	Pages	096102-96105
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A recent theoretical study [ Phys. Rev. B 85 121411(R) (2012)] predicted a thickness limit below which ideal polar cuprates turn nonpolar driven by the associated electrostatic instability. Here we demonstrate this possibility by inducing a structural transformation from the bulk planar to chainlike structure upon reducing the SrCuO2 repeat thickness in SrCuO2/SrTiO3 superlattices with unit-cell precision. Our results, based on structural investigation by x-ray diffraction and high resolution scanning transmission electron microscopy, demonstrate that the oxygen sublattice can essentially be built by design. In addition, the electronic structure of the chainlike structure, as studied by x-ray absorption spectroscopy, shows the signature for preferential hole occupation in the Cu 3d3z2-r2 orbital, which is different from the planar case.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000323610800023	Publication Date	2013-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	29	Open Access
	Notes	This work was carried out with financial support from AFOSR and EOARD project (Project No. FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. This work was partially funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure No. 312483-ESTEEM2. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Y. T. acknowledges support from the National Science Foundation (DMR-0747896). W. S. was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. D. S. thanks Z. Zhong from Vienna University of Technology, Austria for scientific discussion. ECASJO_;			Approved	Most recent IF: 8.462; 2013 IF: 7.728
	Call Number	UA @ lucian @ c:irua:109452UA @ admin @ c:irua:109452			Serial	1140
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