Application of Inelastic Neutron Scattering to the Methanol-to-Gasoline Reaction Over a ZSM-5 Catalyst

Inelastic neutron scattering (INS) is used to investigate a ZSM-5 catalyst that has been exposed to methanol vapour at elevated temperature. In-line mass spectrometric analysis of the catalyst exit stream confirms methanol-to-gasoline chemistry, whilst ex situ INS measurements detect hydrocarbon species formed in/on the catalyst during methanol conversion. These preliminary studies demonstrate the capability of INS to complement infrared spectroscopic characterisation of the hydrocarbon pool present in/on ZSM-5 during the MTG reaction

Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework

Supramolecular interactions are fundamental to host-guest binding in chemical and biological processes. Direct visualisation of such supramolecular interactions within host-guest systems is extremely challenging but crucial for the understanding of their function. We report a comprehensive study combining neutron scattering with synchrotron X-ray and neutron diffraction, coupled with computational modelling, to define the detailed binding at a molecular level of acetylene, ethylene and ethane within the porous host NOTT-300. This study reveals the simultaneous and cooperative hydrogen-bonding, π···π stacking interactions and inter-molecular dipole interactions in the binding of acetylene and ethylene to give up to twelve individual weak supramolecular interactions aligned within the host to form an optimal geometry for intelligent, selective binding of hydrocarbons. We also report, for the first time, the cooperative binding of a mixture of acetylene and ethylene within the porous host together with the corresponding breakthrough experiment and analysis of mixed gas adsorption isotherms

Atomic Layer Deposition of 2D Metal Dichalcogenides for Electronics, Catalysis, Energy Storage, and Beyond

2D transition metal dichalcogenides (TMDCs) are among the most exciting materials of today. Their layered crystal structures result in unique and useful electronic, optical, catalytic, and quantum properties. To realize the technological potential of TMDCs, methods depositing uniform films of controlled thickness at low temperatures in a highly controllable, scalable, and repeatable manner are needed. Atomic layer deposition (ALD) is a chemical gas-phase thin film deposition method capable of meeting these challenges. In this review, the applications evaluated for ALD TMDCs are systematically examined, including electronics and optoelectonics, electrocatalysis and photocatalysis, energy storage, lubrication, plasmonics, solar cells, and photonics. This review focuses on understanding the interplay between ALD precursors and deposition conditions, the resulting film characteristics such as thickness, crystallinity, and morphology, and ultimately device performance. Through rational choice of precursors and conditions, ALD is observed to exhibit potential to meet the varying requirements of widely different applications. Beyond the current state of ALD TMDCs, the future prospects, opportunities, and challenges in different applications are discussed. The authors hope that the review aids in bringing together experts in the fields of ALD, TMDCs, and various applications to eventually realize industrial applications of ALD TMDCs.Peer reviewe

Predicting permeability tensors of foams using vector kinetic method

Light cellular materials are increasingly used in many engineering applications due to several attractive properties including heat and mass transfer enhancement, low pressure drop compared to packed bed of spheres. It is therefore important to simulate the complex and unsteady flows by reliable numerical methods to determine intrinsic macroscopic hydraulic properties on actual foam structures. The approach of numerical simulations at pore scale has become popular criterion with the development of high performance computational power. Numerical studies based on a type of Lattice Boltzmann Method (LBM) were performed in the present work. Another kinetic method than LBM has been explored. A vector kinetic method is proposed which has the advantage of being non-diffusive, explicit, parallel, and use only physical variables instead of discrete velocity. The proposed numerical method is validated against experimental and numerical permeability data obtained on idealized isotropic idealized as well as real foam samples

Structure Flexibility of the Cu(2)ZnSnS(4) Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds

International audienceHere we present for the very first time a single-crystal investigation of the Cu-poor Zn-rich derivative of Cu(2)ZnSnS(4). Nowadays, this composition is considered as the one that delivers the best photovoltaic performances in the specific domain of Cu(2)ZnSnS(4)-based thin-film solar cells. The existence of this nonstoichiometric phase is definitely demonstrated here in an explicit and unequivocal manner on the basis of powder and single-crystal X-ray diffraction analyses coupled with electron microprobe analyses. Crystals are tetragonal, space group I ̅4, Z = 2, with a = 5.43440(15) Å and c = 10.8382(6) Å for Cu(2)ZnSnS(4) and a = 5.43006(5) Å and c = 10.8222(2) Å for Cu(1.71)Zn(1.18)Sn(0.99)S(4)

[Floating thrombus in an aberrant right subclavian artery: a rare cause of peripheral arterial embolic events].

International audienceINTRODUCTION: Floating thrombus in an aberrant right subclavian artery is a rare cause of peripheral arterial embolic events. CASE REPORT: We report a 45-year-old woman who presented with an ischemia of the right superior limb from embolic event. The diagnosis of mobile thrombus in an aberrant right subclavian artery was obtained with transoesophageal echocardiography and computed tomography. After three weeks of oral anticoagulant therapy, there was no significant resolution of the thrombus, and a surgical treatment was performed to prevent further embolization. The surgical procedure consisted of thrombectomy and reimplantation of the aberrant right subclavian artery to the right carotid artery. Postoperative recovery was uneventful. CONCLUSION: This case report illustrates that transoesophageal echography and computed tomography are useful to detect mobile thrombus of the thoracic aorta and is warranted in any embolic event in young patients

Synthesis and characterization of hollandite-type material intended for the specific containment of radioactive cesium

The hollandite Ba1Cs0.28Fe0.82Al1.46Ti5.72O16, which has been proposed for the cesium-specific conditioning, can be synthesized either by an alcoxyde or a dry route. In both cases, a two-step protocol is applied, i.e., a calcination at 1000 °C followed by a sintering at 1200 °C. After sintering, both synthetic processes lead to a tetragonal form. According to the X-ray diffraction (XRD) patterns collected at the barium and the cesium K absorption edges, the different positions of these two elements have been evidenced with a more centered position in the oxygen cubic site of the tunnel for Ba than for Cs. On the contrary, after calcination, the two synthetic routes yield different products. The alcoxyde route gives rise to a mixture of the aforementioned Cs- and Ba-containing tetragonal I4/m hollandite, a Cs-only-containing monoclinic I2/m hollandite and an unidentified phase with a weak coherence length containing only Ba. The dry route yields a single tetragonal hollandite material containing Ba and Cs slightly different in composition from the targeted compoun