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andrea piovano (ILL)12/09/2022, 16:30
Functional materials are those possessing desirable tuned properties for applications such as, but not limited to, energy harvesting, storage, memory and communication devices. Functional materials can be any type of specially designed material with a determined function: semiconductors, polymers, porous media, molecular crystals or nanoparticles are good examples of them. Their special...
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Dr Elena Garlatti (Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Università di Parma)12/09/2022, 16:40
In the quest for quantum technologies, Molecular Magnetism is offering a variety of promising systems. Indeed, Molecular NanoMagnets (MNMs) can either be exploited as classical bits in high-density magnetic memories or as qubits for quantum information processing. One of the most important goals in the current research in this field is to reach a deep understanding of magnetic relaxation and...
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Ms Bernet Meijer (Queen Mary University London)12/09/2022, 17:15
Weak van der Waals interactions that bind together organic molecules in the solid state lie at the heart of many highly relevant scientific problems, from soot formation in the atmosphere to polymorphism in pharmaceutical compounds. Nonetheless, the effects of these forces on the structure and (especially) dynamics of molecular materials are not yet fully understood.
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Another application of van... -
Helen Walker (ISIS Neutron and Muon Source)12/09/2022, 17:40
Ammonium sulfate, a common garden fertiliser, displays a ferroelectric phase transition with a large entropy change whose origins have proved controversial. Understanding this will provide an important insight in to its barocaloric properties, and how these might be developed into future environmentally friendly cooling applications. Here we approach this question using quasielastic,...
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Dr Ellen Fogh (Laboratory for Quantum Magnetism, Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland)12/09/2022, 18:05
The ability to control magnetic and electric properties is attractive for tailoring materials for devices, data storage and sensor technology. In magnetoelectric materials, these two degrees of freedom are closely linked and this makes them particularly interesting [1]. Here we study one such system, LiNi$_{1−x}$Fe$_x$PO$_4$, using magnetometry, polarized neutron diffraction, pyrocurrent...
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Prof. David Lennon (University of Glasgow)13/09/2022, 09:00
Methanol holds an important role in the chemical manufacturing industry. Not only is it an important commodity on its own but, additionally, it can fulfil a role as a chemical vector and/or an energy vector. An example of methanol being actively used as a chemical vector is the methanol-to-hydrocarbon (MTH) reaction over zeolite catalysts. Methanol is readily available as a feedstock via...
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Pieter Glatzel (ESRF)13/09/2022, 09:45
Instruments for photon-in/photon-out spectroscopy have become available on many X-ray absorption spectroscopy beamlines at synchrotron radiation sources. This makes the technique visible and accessible to many researchers in the materials science community. In particular, in situ and operando studies in catalysis and research related to energy storage greatly benefit from the larger...
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Eleonora Vottero (Università di Torino)13/09/2022, 10:45
Supported platinum nanoparticles are largely employed in industrial hydrogenation processes thanks to their great catalytic activity which, in turn, derives from their ability to activate and split the H2 molecules at the metal surface to form reactive hydride species. Albeit these systems were among the very first heterogeneous catalyst to be discovered and employed, many details about their...
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Ms Gabrielli Almeida (Institut Laue Langevin)13/09/2022, 11:10
The production of ethylene exceeds 200 million tons per year, consolidating this molecule as a critical feedstock material for petrochemical industry. A fundamental step for the application of this alkene in derivatives is its separation/ purification from ethane after being obtained by naphta or ethane steam cracking. The state of art method for such task is cryogenic distillation, one of the...
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Peter Fouquet13/09/2022, 11:35
Catalyst materials are an essential component in hydrogen production and for the operation of fuel cells. Today, however, they are mostly based on platinum, which is expensive and rare. Molybdenum sulfide, MoS2, which is more abundant and significantly cheaper, has shown interesting catalytic activity and has been a focus point of research in recent years [2]. MoS2 is a van-der-Waals bonded 2d...
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Mohamed Aouane13/09/2022, 14:00
Endofullerenes are substances in which small molecules or atoms are encapsulated in highly sym-metrical cages of carbon atoms. Each encapsulated atom or molecule behaves as a textbook example of a quantized particle-in-a-box. The newest and largest member of the endofullerene fami-ly tree, namely CH$_4$@C$_{60}$, is the first organic molecule trapped inside the cage and the main interest of...
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Sandrine Lyonnard (UGA, CEA, CNRS, IRIG, SyMMES, F-38000 Grenoble), Quentin Berrod (UGA, CEA, CNRS, IRIG, SyMMES, F-38000 Grenoble)13/09/2022, 17:30Poster
Energy conversion and storage devices as fuel cells or lithium-ion batteries contain an electrolyte to transport ions from the negative to the positive electrode. This electrolyte can be a salt-containing liquid as in state-of-the art Li-ion batteries, a polymer as in proton exchange membrane fuel cells and solid-state batteries, or inorganic conductors as oxides or glass ceramics. In all...
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Dr Marc Widenmeyer (Technische Universität Darmstadt)13/09/2022, 17:45Poster
Defects and structural disorders are well recognized as crucial for the energy conversion process. However, the precise description of the types and concentrations of defects is an intriguing and complex challenge, requesting the combination of various advanced experimental in situ and post mortem methods such as laboratory- and synchrotron-based X-ray diffraction, neutron diffraction, X-ray...
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Alessandra de Marcos-Galán (Instituto de Tecnología Química (UPV-CSIC))13/09/2022, 18:00Poster
Ethylene is an important raw material for the production of wide variety of polymers. However, this gas usually appears mixed with other components, as for instance ethane and purification to a single component is required. Nevertheless, the separation of these gases, which have similar properties, sizes and molecular structures is still challenging. In the case of ethylene, its separation...
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Peter Fouquet (ILL)13/09/2022, 18:15Poster
The first neutron spin echo (NSE) instrument IN11 was in user operation for 40 years at ILL. The newest spin echo instrument WASP took the relay and just had its first full year of user operation. We will use this occasion to review how the design of the wide angle NSE spectrometers has developed over the years. Apart from WASP, most functioning NSE spectrometers use the basic IN11A design...
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Dr Alexandre Ivanov (Institut Laue-Langevin)13/09/2022, 18:30Poster
In the crystal structure of KDP (КH2PO4) the phosphate tetrahedra are linked together by a net of O-H-O hydrogen bonds. At ambient pressure and temperature protons are disordered in a two-minimum potential along the bonds. At a temperature of 123 K a ferroelectric phase transition takes place related to the locking of protons in one of these two energy minima. We used inelastic neutron...
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Theodosios FAMPRIKIS14/09/2022, 09:00
Fast ion-conductors, especially those conductive for lithium and sodium cations, have been the subject of intense (re)investigation lately in the context of electrochemical applications, most notably as solid electrolytes in all-solid-state-batteries. In that context, ions need to travel macroscopically (i.e. in the μm-mm scale) between electrodes to charge and discharge the cell. As such,...
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Prof. Jon Goff (Royal Holloway University of London)14/09/2022, 09:45
The demand for energy storage is expected to increase dramatically due to the introduction of electric vehicles and the need for load levelling in the wind, tidal and solar renewables industries. The scarcity of lithium together with issues over supply from remote or politically sensitive areas, has led to concerns over cost. Sodium-ion batteries are a particularly attractive alternative for...
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Xingchen SHEN14/09/2022, 10:20
Argyrodites exhibit weak temperature dependence and low magnitude lattice thermal conductivity (κL) along with decent electrical performances at the high-temperature cubic superionic phase in the virtue of the partially occupied mobile Ag-sublattice interpenetrating a rigid network of (Si, Ge, Sn)X4 tetrahedra. However, the fundamental understanding of the interesting κL in terms of...
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Maths Karlsson (Chalmers University of Technology)14/09/2022, 11:15
Over the past two decades, the study of solid oxide electrolytes and their usage in various technological applications, such as batteries, chemical sensors, and fuel cells has developed into an extremely important field within materials science research. This development is driven by the need for cleaner and more sustainable sources of energy, which is one of the grand challenges in the 21st...
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Jean-Marc Zanotti (Laboratoire Léon Brillouin (CEA-CNRS), Université Paris-Saclay, Gif-sur-Yvette, France)14/09/2022, 12:00
composite polymer membranes made out of vertically aligned carbon nanotube (CNT) forests. As this system shows no tortuosity and no friction at the electrolyte / CNT interface, the transport properties within the pore system (the interior of the CNTs) are expected to be tremendously enhanced. We actually have recently shown1 that, compared to the bulk situation, such 1D CNT nanometric...
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Bettina Schwaighofer14/09/2022, 12:35
Solid oxide ion conductors are remarkable materials with significant market potential due to their importance in technological applications like oxygen sensors, fuel cells and separation membranes. A crucial factor for advancement of their applicability is the development of new oxide ion conductors with higher conductivities at lower temperatures. Detailed knowledge of the structural...
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Dr Teresa BLASCO (Instituto de Tecnología Química (UPV-CSIC))14/09/2022, 15:00
Solid state nuclear magnetic resonance spectroscopy (ss-NMR) is a very powerful technique for the investigation of all kind of solid materials, including pharmaceuticals, soils, organics, polymers, cements, ceramics or batteries among others. NMR spectroscopy provides evidence at an atomic level on the local environment of the nuclei difficult to obtain by other techniques.
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Ss-NMR has been... -
Dr Lui Terry14/09/2022, 15:35
Condensed phases of molecular hydrogen (H2) are highly desired for clean energy applications ranging from hydrogen storage to nuclear fusion and superconductive energy storage. However, in bulk hydrogen, such dense phases typically only form at exceedingly low temperatures or extremely high (typically hundreds of GPa) pressures, reducing accessibility of application.
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Formation of solid-like H2... -
Mr Mohammad AbdelSater (LPS)14/09/2022, 16:45
Hydrogen storage technologies play an important and crucial role in the so-called “hydrogen economy”. However, clay minerals have poorly been studied for this purpose, while they possess valuable properties (stability, low cost, green material) to be exploited in this domain.
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We have recently studied H2 adsorption on synthetic smectite, specifically laponite and its gel (before hydrothermal... -
Mr Angel Fernandez Blanco (Institut Laue Langevin)14/09/2022, 17:10
We report a joint experimental and computational characterization of the adsorption process of toxic gases, such as CO, CO2 and SO2[1] in Hofmann-type clathrates with formula {Fe(pz)[MII(CN)4]} (M = metal, pz = pyrazine). These metal-organic frameworks have a 2D layered structure where Fe centers are connected through cyanide ligands to an open-metal site MII, typically Pd, Pt or Ni, offering...
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Charlene GUIMPIER (Groupe Spectroscopie Moléculaire, ISM, UMR 5255 CNRS, Univ. de Bordeaux – Talence, France & Univ Brest, CNRS, Ifremer, UMR Geo-Ocean, F-29280 Plouzané, France)14/09/2022, 17:35
Gas hydrates are crystalline structures consisting of cages resulting from the hydrogen bonding of water molecules (host) enclosing relatively small gas molecules (guest), such as hydrogen, methane and other small hydrocarbons [1]. Gas hydrates occur naturally on continental margins and in the permafrost region where the pressure and temperature conditions are favorable for hydrate formation...
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Marc de Boissieu (Univ. Grenoble Alpes, CNRS, SIMaP)15/09/2022, 09:00
The lattice thermal conductivity of many different materials is displaying a ‘glass like behavior’ [1], with a relatively small value of the lattice thermal conductivity at ambient temperature and an almost independent temperature dependence in the range 20 to 300 K. This is the case for disordered crystals [1], for clathrates [2], but also for aperiodic crystals [3] such as the icosahedral...
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Dr Krzystyniak Matthew (Rutherford Appleton Laboratory)15/09/2022, 09:45
In this work, following our previous work on molybdate glasses, we employ a combination of neutron diffraction and neutron Compton scattering, augmented by ab initio harmonic lattice dynamics and Reverse Monte Carlo modelling to characterise the force-constant disorder in the tungsten oxidebased glasses. Specifically, we discuss the correlations between the average interatomic force constant...
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Dr Kacper Druzbicki (Materials Physics Center, CSIC-UPV/EHU)15/09/2022, 10:45
Organometal Halide Perovskites (OHPs) have emerged as a prospective class of materials holding great promises for efficient conversion of solar energy. While understanding their atomic structure and dynamics is critical to rationalize their exceptional photovoltaic performance and improve their environmental and operational stability, this task remains a formidable challenge for both...
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Dr Koji Kimura (Nagoya Institute of Technology)15/09/2022, 11:10
Recently, BaTiO3(BT)-based compounds have received much attention as Pb-free piezo-electric materials. It has been reported that Ca-doping is effective in enhancing the piezo-electric performance of BT, which was confirmed in several compounds such as (Ba, Ca)(Zr, Ti)O3, (Ba, Ca)(Sn, Ti)O3, and (Ba, Ca)(Hf, Ti)O3 [1]. Therefore, it is important to investigate the effect of Ca-doping on the...
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Jiri Kulda15/09/2022, 11:35
Modern materials often exhibit a considerable portion of structural disorder, playing a key role in their functionalities. In order to characterise local atomic arrangements and short-range correlations one has to study the shape of Bragg lines and the distribution of diffuse scattering below and between them.
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To extract information from experimental data one has to compare model-based...
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