Search results for "surface"
showing 10 items of 9345 documents
The Role of the Anchor Atom in the Ligand of the Monolayer-Protected Au25(XR)18– Nanocluster
2015
We present a density functional theory (DFT) investigation on the role of the anchor atom and ligand on the structural, electronic, and optical properties of the anionic Au25(XR)18– nanocluster (X = S, Se, Te; R = H, CH3, and (CH2)2Ph). Substituting the anchor atom with other group 16 elements induces subtle changes in the Au–Au and Au–X bond lengths and polarization of the covalent bond. The changes in the electronic structure based on substituting both the anchor and R groups are presented through careful analysis of the density of states and theoretical determined optical spectra. We give a detailed side-by-side comparison into the structural, electronic, and optical properties of Au25(X…
Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles
2017
Rh and Pt are widely used as the components in heterogeneous catalysts for multiple industrial applications. Because the metals are typically in the form of nanoparticles in real catalysts, it is important to carefully select models for the computational prediction of the catalytic properties. Here we report a first-principles study on the water activation, an important step in numerous catalytic reactions, using the finite-size Rh and Pt nanoparticle models and compare them to the extended surface models. We show that regardless of the model, adsorption and activation of water is practically identical for both metals, whereas the dissociation is energetically more favorable on Rh. The expe…
High-Performance Lead-Acid Batteries Enabled by Pb and PbO2 Nanostructured Electrodes: Effect of Operating Temperature
2021
Lead-acid batteries are now widely used for energy storage, as result of an established and reliable technology. In the last decade, several studies have been carried out to improve the performance of this type of batteries, with the main objective to replace the conventional plates with innovative electrodes with improved stability, increased capacity and a larger active surface. Such studies ultimately aim to improve the kinetics of electrochemical conversion reactions at the electrode-solution interface and to guarantee a good electrical continuity during the repeated charge/discharge cycles. To achieve these objectives, our contribution focuses on the employment of nanostructured electr…
Effect of NaOH Treatment on Properties of Phoenix Sp. Fiber
2016
The aim of this paper is to investigate the effect of an alkali treatment on physical, chemical, mechanical, and morphological properties of Phoenix Sp. fibers. The use of natural fibers as reinforcement in polymer composites requires a deep investigation to understand their behavior and which treatment is more appropriate to improve the quality of the untreated material. For this reason, fibers were extracted from the petioles of the Phoenix Sp. plant and they were treated with NaOH solution in different weight concentrations (5%, 10%, and 15%). The mechanical behavior was investigated through tensile test on single fiber at different gauge length (20 mm, 30 mm, 40 mm, 50 mm, and 60 mm). C…
Effect of oil lamination between plasticized starch layers on film properties
2016
International audience; To reduce the hygroscopic character of biodegradable starch-based films, rapeseed oil was incorporated by lamination (starch-oil-starch 3-layers technique). The lipid lamination followed by starch solution casting step induced an emulsion type structure of dried films. Composite films are more opalescent and glossier than fatty free starch films. For all the films, structure is heterogeneous in the cross-section only. Adding fat induced a twice decrease of the tensile strength. Thermal gravimetry analysis did not show differences between films with and without oil. Lipid reduced the moisture absorption particularly at higher RH as well as the surface swelling index, …
Understanding the White-Emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ Phosphor through Experiment and Computation
2019
In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The as-synthesized samples were characterized using X-ray diffraction, Rietveld refinement, field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and photoluminescence (PL) spectroscopy. To complement and rationalize the experimental results, first-principles calculations, at the density functional theory level, have been performed to analyze the band structure and density of states. In addition, a theoretical method based on the calculations of surface energie…
2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion
2016
Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]22− with a cavity volume of 165 Å3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50 : 50 ratio in the crystal lattice. peerReviewed
Pressure-Dependent Tuning of Photoluminescence and Size Distribution of Carbon Nanodots for Theranostic Anticancer Applications
2020
Carbon nanodots (CDs) have recently attracted attention in the field of nanomedicine because of the biocompatibility, cost-effective nature, high specific surface, good near infrared (NIR) photothermal conversion into heat and tunable fluorescence properties, which have paved the way toward incorporating use of CDs into innovative anticancer theranostic platforms. However, a reliable synthesis of CDs with established and controlled physiochemical proprieties is precluded owing to the lack of full manipulation of thermodynamic parameters during the synthesis, thus limiting their use in real world medical applications. Herein, we developed a robust solvothermal protocol which allow fine contr…
Laser fluence, repetition rate and pulse duration effects on paint ablation
2006
Abstract The efficiency (mm3/(J pulse)) of laser ablation of paint was investigated with nanosecond pulsed Nd:YAG lasers (λ = 532 nm) as a function of the following laser beam parameters: pulse repetition rate (1–10,000 Hz), laser fluence (0.1–5 J/cm2) and pulse duration (5 ns and 100 ns). In our study, the best ablation efficiency (η ≅ 0.3 mm3/J) was obtained with the highest repetition rate (10 kHz) at the fluence F = 1.5 J/cm2. This ablation efficiency can be associated with heat accumulation at high repetition rate, which leads to the ablation threshold decrease. Despite the low thermal diffusivity and the low optical absorption of the paint (thermal confinement regime), the ablation th…
An Autonomous System to Take Angular Thermal-Infrared Measurements for Validating Satellite Products
2015
An autonomous system for field land surface temperature (LST) measurements taken at different observation angles was developed to be deployed easily at any conventional meteorological tower station. The system permits ground-truth data to be acquired on a continuous basis, and angularly scans land and sky hemispheres with a single thermal-infrared (TIR) radiometer. This paper describes the autonomous angular system and the methodology to assess ground-truth LST and relative-to-nadir emissivity data from system measurements. Ground-truth LSTs were used to validate satellite-retrieved LST products at two experimental sites (rice crop and shrubland areas). The relative-to-nadir emissivity valu…