Search results for "Surfaces"
showing 10 items of 2837 documents
Short Photoluminescence Lifetimes Linked to Crystallite Dimensions, Connectivity, and Perovskite Crystal Phases.
2022
Time-correlated single photon counting has been conducted to gain further insights into the short photoluminescence lifetimes (nanosecond) of lead iodide perovskite (MAPbI3) thin films (∼100 nm). We analyze three different morphologies, compact layer, isolated island, and connected large grain films, from 14 to 300 K using a laser excitation power of 370 nJ/cm2. Lifetime fittings from the Generalized Berberan-Santos decay model range from 0.5 to 6.5 ns, pointing to quasi-direct bandgap emission despite the three different sample strains. The high energy band emission for the isolated-island morphology shows fast recombination rate centers up to 4.8 ns–1, compared to the less than 2 ns–1 for…
A note on Serrin's overdetermined problem
2014
We consider the solution of the torsion problem $$−Δu = N \quad\mathrm{in}\quad Ω,\quad u = 0\quad\mathrm{on}\quad ∂Ω,$$ where Ω is a bounded domain in RN. ¶ Serrin's celebrated symmetry theorem states that, if the normal derivative uν is constant on ∂Ω, then Ω must be a ball. In [6], it has been conjectured that Serrin's theorem may be obtained by stability in the following way: first, for the solution u of the torsion problem prove the estimate $$r_e − r_i ≤ C_t\Bigl(\max_{\Gamma_t} u-\min_{\Gamma_t} u\Bigr)$$ for some constant Ct depending on t, where re and ri are the radii of an annulus containing ∂Ω and Γt is a surface parallel to ∂Ω at distance t and sufficiently close to ∂Ω secondly…
Natural payload delivery of the doxorubicin anticancer drug from boron nitride oxide nanosheets
2019
International audience; We studied the behavior of doxorubicin (DOX; an anticancer drug) molecules loaded on a boron nitride oxide nanosheet (BNO-NS) using the density functional theory (DFT), time-dependent density functional theory (TDDFT), and molecular dynamic (MD) simulation methods. We found that DOX molecules in pi-pi or covalent interaction with BNO-NS preserve their optical properties in water. Moreover, the BNO-NS vector allowed stabilizing the DOX molecules on a cellular membrane contrary to isolated DOX that randomly moved in the solvent box without any interaction with the cell membrane. From these results, we conclude that hydrophilic BNO-NS represents a good candidate for DOX…
Dynamics of molybdenum nano structure formation on the TiO2(110) surface: A kinetic Monte Carlo approach
2006
Abstract The rutile TiO 2 (1 1 0) surface is a highly anisotropic surface exhibiting “channels” delimited by oxygen rows. In previous experimental and theoretical DFT works we could identify the molybdenum adsorption sites. They are located inside the channels. Moreover, experimental studies have shown that during subsequent annealing after deposition, special molybdenum nano structures can be formed, especially two monolayer high pyramidal chains of atoms. In order to better understand the dynamics of nano structure formation, we present a kinetic Monte Carlo study on diffusion and adsorption of molybdenum atoms on a TiO 2 (1 1 0) surface. A quasi one-dimensional lattice gas model has been…
Strong Bonding of Single C60 Molecules to (1 × 2)-Pt(110): an STM/DFT Investigation.
2007
International audience; The interaction of single C60 molecules with the (1 × 2)-Pt(110) surface has been studied by scanning tunneling microscopy and density functional theory (DFT) calculations on slab models. Molecules are observed to be frozen at room temperature and are found to be almost exclusively in the same configuration. Extensive DFT calculations show that this configuration is the global energy minimum, suggesting that adsorbed molecules have enough rototranslational freedom to escape from the numerous local minima. The adsorption energy (3.81 eV) is the strongest ever found for C60, and it is roughly proportional to the number of the Pt and C atoms at contact distance. Analysi…
Solar heating and cooling systems versus conventional systems assisted by photovoltaic: Application of a simplified LCA tool
2016
Abstract Life Cycle Assessment (LCA) is an effective methodology to assess the energy and environmental impacts of energy systems during their life cycle, including manufacturing, operation and end-of-life. The aim of the paper is the application of a simplified LCA tool, developed in the framework of the International Energy Agency Solar Heating and Cooling Task 48, for comparing different typologies of solar assisted heating and cooling systems. In detail, solar thermal heating and cooling systems located in Palermo (southern Italy) and in Zurich (Switzerland) were compared with conventional systems assisted by grid connected and stand-alone photovoltaic plants. A validation of the tool w…
Dielectric Relaxations in Confined Hydrated Myoglobin
2009
In this work we report the results of a broadband dielectric spectroscopy study on the dynamics of a globular protein, myoglobin, in confined geometry, i.e. encapsulated in a porous silica matrix, at low hydration levels, where about only one or two water layers surround the proteins. In order to highlight the specific effect of confinement in the silica host, we compared this system with hydrated myoglobin powders at the same hydration levels. The comparison between the data relative to the two different systems indicates that geometrical confinement within the silica matrix plays a crucial role in protein-water dielectric relaxations, the effect of sol-gel encapsulation being essentially …
Nanosecond laser surface modification of AISI 304L stainless steel: Influence the beam overlap on pitting corrosion resistance
2014
Abstract Surface modifications of AISI 304L stainless steel by laser surface melting (LSM) were investigated using a nanosecond pulsed laser-fibre doped by ytterbium at different overlaps. The objective was to study the change in the corrosion properties induced by the treatment of the outer-surface of the stainless steel without modification of the bulk material. Different analytical techniques such as scanning electron microscopy (SEM), X-ray diffraction (XRD), and glow discharge optical emission spectrometry (GDOES) were used to characterize the laser-melted surface. The corrosion resistance was evaluated in a chloride solution at room temperature by electrochemical tests. The results sh…
Eco-scalable baicalin loaded vesicles developed by combining phospholipid with ethanol, glycerol, and propylene glycol to enhance skin permeation and…
2019
Abstract A new class of biocompatible and scalable phospholipid vesicles was developed, aiming at improving the efficacy of baicalin on the skin. Phosphatidylcholine and baicalin (a natural polyphenol) were hydrated in two steps with a mixture of ethanol, glycerol, and propylene glycol at different ratios, and a low amount of water (4%). Hence, water was almost completely replaced by the co-solvents, which were never used before as predominant dispersing medium of phospholipid vesicles. The vesicles appeared three-dimensionally structured, forming a network that conferred a high viscosity to the dispersions. The vesicles were unilamellar, small in size (∼100 nm), and stable during 12 months…
Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy
2021
High-resolution structural information on membrane proteins is essential for understanding cell biology and for the structure-based design of new medical drugs and drug delivery strategies. X-ray diffraction (XRD) can provide angstrom-level information about the structure of membrane proteins, yet for XRD experiments, proteins are removed from their native membrane environment, chemically stabilized, and crystallized, all of which can compromise the conformation. Here, we describe how a combination of surface-sensitive vibrational spectroscopy and molecular dynamics simulations can account for the native membrane environment. We observe the structure of a glycerol facilitator channel (GlpF)…