Browsing by Subject "CRYSTALS"

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  • Hämäläinen, Jani; Mattinen, Miika; Mizohata, Kenichiro; Meinander, Kristoffer; Vehkamäki, Marko; Räisänen, Jyrki; Ritala, Mikko; Leskelä, Markku (2018)
    2D materials research is advancing rapidly as various new “beyond graphene” materials are fabricated, their properties studied, and materials tested in various applications. Rhenium disulfide is one of the 2D transition metal dichalcogenides that has recently shown to possess extraordinary properties such as that it is not limited by the strict monolayer thickness requirements. The unique inherent decoupling of monolayers in ReS2 combined with a direct bandgap and highly anisotropic properties makes ReS2 one of the most interesting 2D materials for a plethora of applications. Here, a highly controllable and precise atomic layer deposition (ALD) technique is applied to deposit ReS2 thin films. Film growth is demonstrated on large area (5 cm × 5 cm) substrates at moderate deposition temperatures between 120 and 500 °C, and the films are extensively characterized using field emission scanning electron microscopy/energy‐dispersive X‐ray spectroscopy, X‐ray diffractometry using grazing incidence, atomic force microscopy, focused ion beam/transmission electron microscopy, X‐ray photoelectron spectroscopy, and time‐of‐flight elastic recoil detection analysis techniques. The developed ReS2 ALD process highlights the potential of the material for applications beyond planar structure architectures. The ALD process also offers a route to an upgrade to an industrial scale.
  • Magarkar, Aniket; Dhawan, Vivek; Kallinteri, Paraskevi; Viitala, Tapani; Elmowafy, Mohammed; Rog, Tomasz; Bunker, Alex (2014)
  • Stepien, Piotr; Augustyn, Bozena; Poojari, Chetan; Galan, Wojciech; Polit, Agnieszka; Vattulainen, Ilpo; Wisnieska-Becker, Anna; Rog, Tomasz (2020)
    Lipid nanodiscs are macromolecular assemblies, where a scaffold protein is wrapped around a nanosized disc of a lipid bilayer, thus protecting the hydrocarbon chains at the disc edges from unfavorable interactions with water. These nanostructures have numerous applications in, e.g., nanotechnology and pharmaceutics, and in investigations of membrane proteins. Here, we present results based on atomistic molecular dynamics simulations combined with electron paramagnetic spectroscopy measurements on the structure and dynamics of lipids in single-component nanodiscs. Our data highlight the existence of three distinctly different lipid fractions: central lipids residing in the center of a nanodisc, boundary lipids in direct contact with a scaffold protein, and intermediate lipids between these two regions. The central lipids are highly ordered and characterized by slow diffusion. In this part of the nanodisc, the membrane is the thickest and characterized by a gel-like or liquid-ordered phase, having features common to cholesterol-rich membranes. The boundary lipids in direct contact with the scaffold protein turned out to be less ordered and characterized by faster diffusion, and they remained in the liquid-disordered phase even at temperatures that were somewhat below the main phase transition temperature (Tm). The enthalpies associated with the central-boundary and central-intermediate transitions were similar to those observed for lipids going through the main phase transition. Overall, the study reveals lipid nanodiscs to be characterized by a complex internal structure, which is expected to influence membrane proteins placed in nanodiscs.
  • Metspalu, Tarvo; Jansson, Ville; Zadin, Vahur; Avchaciov, Konstantin; Nordlund, Kai; Aabloo, Alvo; Djurabekova, Flyura (2018)
    Self-sputtering of copper under high electric fields is considered to contribute to plasma buildup during a vacuum breakdown event frequently observed near metal surfaces, even in ultra high vacuum condition in different electric devices. In this study, by means of molecular dynamics simulations, we analyze the effect of surface temperature and morphology on the yield of self-sputtering of copper with ion energies of 0.1-5 keV. We analyze all three low-index surfaces of Cu, {100}, {110} and {111}, held at different temperatures, 300 K, 500 K and 1200 K. The surface roughness relief is studied by either varying the angle of incidence on flat surfaces, or by using arbitrary roughened surfaces, which result in a more natural distribution of surface relief variations. Our simulations provide detailed characterization of copper self-sputtering with respect to different material temperatures, crystallographic orientations, surface roughness, energies, and angles of ion incidence.
  • Huotari, Simo; Boldrini, Barbara; Honkimäki, Veijo; Suortti, Pekka; Weyrich, Wolf (2009)
  • Koskelo, J.; Hashemi, J.; Huotari, S.; Hakala, M. (2016)
    We present a comprehensive study of the electronic, magnetic, and optical properties of CuGa1-xFexS2, as a promising candidate for intermediate-band (IB) solar cells. We use hybrid exchange-correlation functional within the density functional theory framework, and show that Fe doping induces unoccupied states 1.6-1.9 eV above the valence band. The IBs significantly enhance the optical absorption in lower energy part of the spectrum. We find that at moderate n-type co-doping concentration, the added charge occupies part of the IB in the gap, but large concentrations lower the energy of the occupied IB toward the valence band. Moreover, we show that Fe impurities tend to cluster within the compound and they choose antiferromagnetic ordering. The findings can have a significant effect in understanding this material and help to synthesize more efficient IB solar cells.
  • Nurmi, Katariina; Kareinen, Ilona; Virkanen, Juhani; Rajamaki, Kristiina; Kouri, Vesa-Petteri; Vaali, Kirsi; Levonen, Anna-Liisa; Fyhrquist, Nanna; Matikainen, Sampsa; Kovanen, Petri T.; Eklund, Kari K. (2017)
    Inflammasomes are intracellular protein platforms, which, upon activation, produce the highly proinflammatory cytokines interleukin (IL)-1 beta and IL-18. Heme, hemin and their degradation products possess significant immunomodulatory functions. Here, we studied whether hemin regulates inflammasome function in macrophages. Both hemin and its derivative, cobalt protoporphyrin (CoPP), significantly reduced IL-1 beta secretion by cultured human primary macrophages, the human monocytic leukemia cell line and also mouse bone marrow-derived and peritoneal macrophages. Intraperitoneal administration of CoPP to mice prior to urate crystal-induced peritonitis alleviated IL-1 beta secretion to the peritoneal cavity. In cultured macrophages, hemin and CoPP inhibited NLRP3 inflammasome assembly by reducing the amount of intracellular apoptosis-associated speck-like protein containing a caspase-recruitment domain (ASC). The reduction of ASC was associated with enhanced autophagosome formation and autophagic flux. Inhibition of autophagy prevented the CoPP-induced depletion of ASC, implying that the depletion was caused by increased autophagy. Our data indicate that hemin functions as an endogenous negative regulator of the NLRP3 inflammasome. The inhibition is mediated via enhanced autophagy that results in increased degradation of ASC. This regulatory mechanism may provide a novel approach for the treatment of inflammasome-related diseases. (C) 2016 S. Karger AG, Basel
  • Moiseev, Dmitry; Lautaportti, Susanna; Alku, Laura; Tabakova, Ksenia; O'Connor, Ewan; Leskinen, Matti; Kulmala, Markku (2019)
    Abstract: Eleven years of dual-polarization weather radar data, complemented by satellite and lidar observations, were used to investigate the origin of areas of localized intensification of precipitation spotted in the vicinity of Helsinki-Vantaa airport. It was observed that existing precipitation is enhanced locally on spatial scales from a few kilometers to several tens of kilometers. The precipitation intensity in these localized areas was 6-14 times higher than the background large-scale precipitation rate. Surface observations and dual-polarization radar data indicate that snowflakes within the ice portion of the falling precipitation in the intensification regions are larger and more isotropic than in the surrounding precipitation. There appears to be an increase in the ice particle number concentration within the intensification region. The observed events were linked to arriving or departing air traffic. We advocate that the mechanism responsible for intensification is aircraft-produced ice particles boosting the aggregation growth of snowflakes. Plain Language Summary: By analyzing 11 years of dual-polarization weather radar observations in the Helsinki region, we have discovered that airplanes landing in or departing from the Helsinki-Vantaa airport could locally increase precipitation rate by as much as 14 times. The observed phenomenon is related to the hole-punch clouds, which are also forming with the help of airplanes. The reported observations allow us to have a better understanding of precipitation formation processes that take place in ice and mixed phase clouds. They show that falling ice crystals from upper clouds could seed lower clouds and therefore increase rain or snowfall intensity through the process called snowflake aggregation. During snowflake aggregation bigger faster falling particles are formed by ice particles colliding and sticking together.
  • von Lerber, Annakaisa; Moisseev, Dmitri; Bliven, Larry F.; Petersen, Walter; Harri, Ari-Matti; Chandrasekar, V. (2017)
    This study uses snow events from the Biogenic Aerosols-Effects on Clouds and Climate (BAECC) 2014 campaign to investigate the connection between properties of snow and radar observations. The general hydrodynamic theory is applied to video-disdrometer measurements to retrieve masses of falling ice particles. Errors associated with the observation geometry and the measured particle size distribution (PSD) are addressed by devising a simple correction procedure. The value of the correction factor is determined by comparison of the retrieved precipitation accumulation with weighing-gauge measurements. Derived mass-dimensional relations are represented in the power-law form m = a(m)D(m)(b). It is shown that the retrieved prefactor a(m) and exponent b(m) react to changes in prevailing microphysical processes. From the derived microphysical properties, event-specific relations between the equivalent reflectivity factor Z(e) and snowfall precipitation rate S (Z(e) = a(zs)S(zs)(b)) are determined. For the studied events, the prefactor of the Z(e)-S relation varied between 53 and 782 and the exponent was in the range of 1.19-1.61. The dependence of the factors a(zs) and b(zs) on the m(D) relation and PSD are investigated. The exponent of the Z(e)-S relation mainly depends on the exponent of the m(D) relation, whereas the prefactor a(zs) depends on both the intercept parameter N-0 of the PSD and the prefactors of the m(D) and nu(D) relations. Changes in a(zs) for a given N-0 are shown to be linked to changes in liquid water path, which can be considered to be a proxy for degree of riming.
  • Xu, Zongwei; Liu, Lei; He, Zhongdu; Tian, Dongyu; Hartmaier, Alexander; Zhang, Junjie; Luo, Xichun; Rommel, Mathias; Nordlund, Kai; Zhang, Guoxiong; Fang, Fengzhou (2020)
    Nanocutting mechanism of single crystal 6H-SiC is investigated through a novel scanning electron microscope setup in this paper. Various undeformed chip thicknesses on (0001) orientation are adopted in the nanocutting experiments. Phase transformation and dislocation activities involved in the 6H-SiC nanocutting process are also characterized and analyzed. Two methods of stress-assisted and ion implant-assisted nanocutting are studied to improve 6H-SiC ductile machining ability. Results show that stress-assisted method can effectively decrease the hydrostatic stress and help to activate dislocation motion and ductile machining; ion implant-induced damages are helpful to improve the ductile machining ability from MD simulation and continuous nanocutting experiments under the online observation platform.
  • Grosjean, Sylvain; Hodapp, Patrick; Hassan, Zahid; Woell, Christof; Nieger, Martin; Bräse, Stefan (2019)
    Modular synthesis of structurally diverse functionalized azobiphenyls and azoterphenyls for the realization of optically switchable materials has been described. The corresponding synthesis of azobiphenyls and azoterphenyls by stepwise Mills/Suzuki-Miyaura cross-coupling reaction, proceeds with high yields and provides facile access to a library of functionalized building blocks. The synthetic methods described herein allow combining several distinct functional groups within a single unit, each intended for a specific task, such as 1) the -N=N- azobenzene core as a photoswitchable moiety, 2) aryls and heteroaryls, functionalized with carboxylic acids or pyridine at its peripheries, as coordinating moieties and 3) varying substitution, size and length of the backbone for adaptability to specific applications. These specifically designed azobiphenyls and azoterphenyls provide modular bricks, potentially useful for the assembly of a variety of polymers, molecular containers and coordination networks, offering a high degree of molecular functionality. Once integrated into materials, the azobenzene system, as a side group on the organic linker backbone, can be exploited for remotely controlling the structural, mechanical or physical properties, thus being applicable for a broad variety of 'smart' applications.
  • Parmar, Mayuriben; Rawson, Shaun; Scarff, Charlotte A.; Goldman, Adrian; Dafforn, Timothy R.; Muench, Stephen P.; Postis, Vincent L.G. (2018)
    The field of membrane protein structural biology has been revolutionized over the last few years with a number of high profile structures being solved using cryo-EM including Piezo, Ryanodine receptor, TRPV1 and the Glutamate receptor. Further developments in the EM field hold the promise of even greater progress in terms of greater resolution, which for membrane proteins is still typically within the 4-7 angstrom range. One advantage of a cryo-EM approach is the ability to study membrane proteins in more "native" like environments for example proteoliposomes, amphipols and nanodiscs. Recently, styrene maleic acid co-polymers (SMA) have been used to extract membrane proteins surrounded by native lipids (SMALPs) maintaining a more natural environment. We report here the structure of the Escherichia coli multidrug efflux transporter AcrB in a SMALP scaffold to sub-nm resolution, with the resulting map being consistent with high resolution crystal structures and other EM derived maps. However, both the C-terminal helix (TM12) and TM7 are poorly defined in the map. These helices are at the exterior of the helical bundle and form the greater interaction with the native lipids and SMA polymer and may represent a more dynamic region of the protein. This work shows the promise of using an SMA approach for single particle cryo-EM studies to provide sub-nm structures.